(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one

C14H16Cl2N2O2 — CID 167009031

IUPAC(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2c(O)ccc(Cl)c2Cl)CN1[C@@H]1CCNC1
InChIInChI=1S/C14H16Cl2N2O2/c15-10-1-2-11(19)13(14(10)16)8-5-12(20)18(7-8)9-3-4-17-6-9/h1-2,8-9,17,19H,3-7H2/t8-,9-/m1/s1
InChIKeyKZOHXZSFRDURJG-RKDXNWHRSA-N
MW315.20 g/mol
LogP2.38
Rot. Bonds2

About (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one

(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one (PubChem CID 167009031) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one
PubChem CID167009031
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2c(O)ccc(Cl)c2Cl)CN1[C@@H]1CCNC1
InChIInChI=1S/C14H16Cl2N2O2/c15-10-1-2-11(19)13(14(10)16)8-5-12(20)18(7-8)9-3-4-17-6-9/h1-2,8-9,17,19H,3-7H2/t8-,9-/m1/s1
InChIKeyKZOHXZSFRDURJG-RKDXNWHRSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-one
CID 163241088
(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one
CID 163241105
Tert-butyl 3-[[3-(2,3-dichloro-6-fluorosulfanyloxyphenyl)-5-hydroxypentanoyl]amino]pyrrolidine-1-carboxylate
CID 163241140
4-(2,3-Dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one
CID 170335384
4-(2,3-Dichloro-6-hydroxyphenyl)-3,3-difluoro-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 172375370
(4R)-4-(2,3-dichloro-6-hydroxyphenyl)-3,3-difluoro-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 176107971
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)butanamide Isomer 1
CID 165397487
(2R)-2-[(3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrrolidin-3-yl]propanamide
CID 165397493
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-N-methylacetamide
CID 165397497
(2S)-2-[(3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrrolidin-3-yl]propanamide
CID 165397505
2-((5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-1-((S)-3-hydroxypyrrolidin-1-yl)ethan-1-one
CID 165397506
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidiin-3-yl)butanamide Isomer 2
CID 165397511

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one (CID 167009031) is (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one is O=C1C[C@@H](c2c(O)ccc(Cl)c2Cl)CN1[C@@H]1CCNC1.
What is the InChIKey of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one?
The InChIKey is KZOHXZSFRDURJG-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-10-1-2-11(19)13(14(10)16)8-5-12(20)18(7-8)9-3-4-17-6-9/h1-2,8-9,17,19H,3-7H2/t8-,9-/m1/s1.
What are the key properties of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one?
(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one has a molecular weight of 315.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 167009031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).