(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

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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).