(1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone

C73H92ClF5N10O10 — CID 159774756

IUPAC(1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone
SMILESCC(=O)C1CC1.CC(=O)N1CCC(F)(F)C1.CC(=O)N1CCCC1.CC(=O)N1CC[C@@H](F)C1.CC(=O)N1CC[C@H](F)C1.CC(=O)[C@@H](N)c1ccccc1.CC(=O)[C@H](N)c1ccccc1.CC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(=O)c1cc2cccc(F)c2[nH]1.CC(=O)c1cnccn1
InChIInChI=1S/C10H8ClNO.C10H8FNO.2C9H11NO.C6H9F2NO.2C6H10FNO.C6H6N2O.C6H11NO.C5H8O/c1-6(13)10-5-7-4-8(11)2-3-9(7)12-10;1-6(13)9-5-7-3-2-4-8(11)10(7)12-9;2*1-7(11)9(10)8-5-3-2-4-6-8;1-5(10)9-3-2-6(7,8)4-9;2*1-5(9)8-3-2-6(7)4-8;1-5(9)6-4-7-2-3-8-6;1-6(8)7-4-2-3-5-7;1-4(6)5-2-3-5/h2*2-5,12H,1H3;2*2-6,9H,10H2,1H3;2-4H2,1H3;2*6H,2-4H2,1H3;2-4H,1H3;2-5H2,1H3;5H,2-3H2,1H3/t;;2*9-;;2*6-;;;/m..10.10.../s1
InChIKeyNGPAAIFJGRJSGK-IAHURKKFSA-N
MW1400.04 g/mol
LogP12.40
Rot. Bonds8

About (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone

(1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone (PubChem CID 159774756) has the molecular formula C73H92ClF5N10O10 and a molecular weight of 1400.04 g/mol. Its IUPAC name is (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone
PubChem CID159774756
Molecular FormulaC73H92ClF5N10O10
Molecular Weight1400.04 g/mol
Exact Mass1398.66
IUPAC Name(1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone
SMILESCC(=O)C1CC1.CC(=O)N1CCC(F)(F)C1.CC(=O)N1CCCC1.CC(=O)N1CC[C@@H](F)C1.CC(=O)N1CC[C@H](F)C1.CC(=O)[C@@H](N)c1ccccc1.CC(=O)[C@H](N)c1ccccc1.CC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(=O)c1cc2cccc(F)c2[nH]1.CC(=O)c1cnccn1
InChIInChI=1S/C10H8ClNO.C10H8FNO.2C9H11NO.C6H9F2NO.2C6H10FNO.C6H6N2O.C6H11NO.C5H8O/c1-6(13)10-5-7-4-8(11)2-3-9(7)12-10;1-6(13)9-5-7-3-2-4-8(11)10(7)12-9;2*1-7(11)9(10)8-5-3-2-4-6-8;1-5(10)9-3-2-6(7,8)4-9;2*1-5(9)8-3-2-6(7)4-8;1-5(9)6-4-7-2-3-8-6;1-6(8)7-4-2-3-5-7;1-4(6)5-2-3-5/h2*2-5,12H,1H3;2*2-6,9H,10H2,1H3;2-4H2,1H3;2*6H,2-4H2,1H3;2-4H,1H3;2-5H2,1H3;5H,2-3H2,1H3/t;;2*9-;;2*6-;;;/m..10.10.../s1
InChIKeyNGPAAIFJGRJSGK-IAHURKKFSA-N
XLogP12.40
TPSA293.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.04
LogP ≤ 512.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone?
The IUPAC name of (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone (CID 159774756) is (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone?
The canonical SMILES for (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone is CC(=O)C1CC1.CC(=O)N1CCC(F)(F)C1.CC(=O)N1CCCC1.CC(=O)N1CC[C@@H](F)C1.CC(=O)N1CC[C@H](F)C1.CC(=O)[C@@H](N)c1ccccc1.CC(=O)[C@H](N)c1ccccc1.CC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(=O)c1cc2cccc(F)c2[nH]1.CC(=O)c1cnccn1.
What is the InChIKey of (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone?
The InChIKey is NGPAAIFJGRJSGK-IAHURKKFSA-N. The full InChI is InChI=1S/C10H8ClNO.C10H8FNO.2C9H11NO.C6H9F2NO.2C6H10FNO.C6H6N2O.C6H11NO.C5H8O/c1-6(13)10-5-7-4-8(11)2-3-9(7)12-10;1-6(13)9-5-7-3-2-4-8(11)10(7)12-9;2*1-7(11)9(10)8-5-3-2-4-6-8;1-5(10)9-3-2-6(7,8)4-9;2*1-5(9)8-3-2-6(7)4-8;1-5(9)6-4-7-2-3-8-6;1-6(8)7-4-2-3-5-7;1-4(6)5-2-3-5/h2*2-5,12H,1H3;2*2-6,9H,10H2,1H3;2-4H2,1H3;2*6H,2-4H2,1H3;2-4H,1H3;2-5H2,1H3;5H,2-3H2,1H3/t;;2*9-;;2*6-;;;/m..10.10.../s1.
What are the key properties of (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone?
(1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone has a molecular weight of 1400.04 g/mol, XLogP of 12.40, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-phenylpropan-2-one;(1R)-1-amino-1-phenylpropan-2-one;1-(5-chloro-1H-indol-2-yl)ethanone;1-cyclopropylethanone;1-(3,3-difluoropyrrolidin-1-yl)ethanone;1-(7-fluoro-1H-indol-2-yl)ethanone;1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;1-pyrazin-2-ylethanone;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 159774756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).