(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one

C12H14N2O — CID 97056556

IUPAC(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one
SMILESCN[C@H](C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H14N2O/c1-8(13-2)12(15)10-3-4-11-9(7-10)5-6-14-11/h3-8,13-14H,1-2H3/t8-/m1/s1
InChIKeyPXNJPKFIZYDFKB-MRVPVSSYSA-N
MW202.26 g/mol
LogP1.96
Rot. Bonds3

About (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one

(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one (PubChem CID 97056556) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one
PubChem CID97056556
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one
SMILESCN[C@H](C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H14N2O/c1-8(13-2)12(15)10-3-4-11-9(7-10)5-6-14-11/h3-8,13-14H,1-2H3/t8-/m1/s1
InChIKeyPXNJPKFIZYDFKB-MRVPVSSYSA-N
XLogP1.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
CID 71918006
1-(1H-indol-5-yl)-4-methylpentan-1-one
CID 10976846
(2R,3S)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381852
(2S,3R)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381849
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one?
The IUPAC name of (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one (CID 97056556) is (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one is CN[C@H](C)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one?
The InChIKey is PXNJPKFIZYDFKB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(13-2)12(15)10-3-4-11-9(7-10)5-6-14-11/h3-8,13-14H,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one?
(2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one has a molecular weight of 202.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-5-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 97056556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).