4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one

C16H15ClN2O — CID 168508921

IUPAC4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C16H15ClN2O/c17-9-12-8-16(20)19(11-12)14-6-7-15(18-10-14)13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2
InChIKeyGFBMXGVNSSNIFK-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.34
Rot. Bonds3

About 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one

4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168508921) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
PubChem CID168508921
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C16H15ClN2O/c17-9-12-8-16(20)19(11-12)14-6-7-15(18-10-14)13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2
InChIKeyGFBMXGVNSSNIFK-UHFFFAOYSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677109
5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride
CID 168712493
4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168508906
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-(1,3-benzothiazol-5-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508876
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
4-(chloromethyl)-1-pyrimidin-4-ylpyrrolidin-2-one
CID 168509710
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one (CID 168508921) is 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is GFBMXGVNSSNIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-9-12-8-16(20)19(11-12)14-6-7-15(18-10-14)13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2.
What are the key properties of 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 286.76 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168508921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).