(3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one

C15H19ClN2O — CID 129421246

IUPAC(3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one
SMILESC[C@@H]1C[C@@H]1[C@@H](N[C@H]1CCNC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O/c1-9-8-12(9)14(10-2-4-11(16)5-3-10)18-13-6-7-17-15(13)19/h2-5,9,12-14,18H,6-8H2,1H3,(H,17,19)/t9-,12+,13+,14+/m1/s1
InChIKeyAFDADXSWJVPTHS-HYNSBDGHSA-N
MW278.78 g/mol
LogP2.52
Rot. Bonds4

About (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one

(3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one (PubChem CID 129421246) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one
PubChem CID129421246
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one
SMILESC[C@@H]1C[C@@H]1[C@@H](N[C@H]1CCNC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O/c1-9-8-12(9)14(10-2-4-11(16)5-3-10)18-13-6-7-17-15(13)19/h2-5,9,12-14,18H,6-8H2,1H3,(H,17,19)/t9-,12+,13+,14+/m1/s1
InChIKeyAFDADXSWJVPTHS-HYNSBDGHSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

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CID 81354601
3-[1-(3,4-dichlorophenyl)ethylamino]azepan-2-one
CID 43234796
5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
CID 63662235
1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene
CID 61083136
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 119806177
(3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one
CID 97325292
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
CID 43224358
3-[1-(4-chloro-3-fluorophenyl)ethylamino]azepan-2-one
CID 82888994
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81352768
(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one
CID 129397765

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one (CID 129421246) is (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one is C[C@@H]1C[C@@H]1[C@@H](N[C@H]1CCNC1=O)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one?
The InChIKey is AFDADXSWJVPTHS-HYNSBDGHSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-9-8-12(9)14(10-2-4-11(16)5-3-10)18-13-6-7-17-15(13)19/h2-5,9,12-14,18H,6-8H2,1H3,(H,17,19)/t9-,12+,13+,14+/m1/s1.
What are the key properties of (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one?
(3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one has a molecular weight of 278.78 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 129421246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).