3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one

C20H21ClN2O2 — CID 58452387

IUPAC3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](CC(c2ccc(C3CC3)cc2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C20H21ClN2O2/c21-17-8-9-18(23-20(17)25)16(11-15-7-10-19(24)22-15)14-5-3-13(4-6-14)12-1-2-12/h3-6,8-9,12,15-16H,1-2,7,10-11H2,(H,22,24)(H,23,25)/t15-,16?/m1/s1
InChIKeyGEWKLUPUYNCMCD-AAFJCEBUSA-N
MW356.85 g/mol
LogP3.71
Rot. Bonds5

About 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one

3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one (PubChem CID 58452387) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
PubChem CID58452387
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](CC(c2ccc(C3CC3)cc2)c2ccc(Cl)c(=O)[nH]2)N1
InChIInChI=1S/C20H21ClN2O2/c21-17-8-9-18(23-20(17)25)16(11-15-7-10-19(24)22-15)14-5-3-13(4-6-14)12-1-2-12/h3-6,8-9,12,15-16H,1-2,7,10-11H2,(H,22,24)(H,23,25)/t15-,16?/m1/s1
InChIKeyGEWKLUPUYNCMCD-AAFJCEBUSA-N
XLogP3.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one (CID 58452387) is 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one is O=C1CC[C@H](CC(c2ccc(C3CC3)cc2)c2ccc(Cl)c(=O)[nH]2)N1.
What is the InChIKey of 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The InChIKey is GEWKLUPUYNCMCD-AAFJCEBUSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-8-9-18(23-20(17)25)16(11-15-7-10-19(24)22-15)14-5-3-13(4-6-14)12-1-2-12/h3-6,8-9,12,15-16H,1-2,7,10-11H2,(H,22,24)(H,23,25)/t15-,16?/m1/s1.
What are the key properties of 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one has a molecular weight of 356.85 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).