(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

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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).