3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one

C22H25ClN2O — CID 11530775

IUPAC3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one
SMILESO=C1C(Cc2c(Cl)cccc2-c2cccnc2)CCN1C1CCCCC1
InChIInChI=1S/C22H25ClN2O/c23-21-10-4-9-19(17-6-5-12-24-15-17)20(21)14-16-11-13-25(22(16)26)18-7-2-1-3-8-18/h4-6,9-10,12,15-16,18H,1-3,7-8,11,13-14H2
InChIKeyUVKSZAXWKOGUHV-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.13
Rot. Bonds4

About 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one

3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one (PubChem CID 11530775) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one
PubChem CID11530775
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one
SMILESO=C1C(Cc2c(Cl)cccc2-c2cccnc2)CCN1C1CCCCC1
InChIInChI=1S/C22H25ClN2O/c23-21-10-4-9-19(17-6-5-12-24-15-17)20(21)14-16-11-13-25(22(16)26)18-7-2-1-3-8-18/h4-6,9-10,12,15-16,18H,1-3,7-8,11,13-14H2
InChIKeyUVKSZAXWKOGUHV-UHFFFAOYSA-N
XLogP5.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one (CID 11530775) is 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one is O=C1C(Cc2c(Cl)cccc2-c2cccnc2)CCN1C1CCCCC1.
What is the InChIKey of 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one?
The InChIKey is UVKSZAXWKOGUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-21-10-4-9-19(17-6-5-12-24-15-17)20(21)14-16-11-13-25(22(16)26)18-7-2-1-3-8-18/h4-6,9-10,12,15-16,18H,1-3,7-8,11,13-14H2.
What are the key properties of 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one?
3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one has a molecular weight of 368.91 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-pyridin-3-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 11530775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).