1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one

C16H14N2O2 — CID 142687637

IUPAC1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one
SMILESO=C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C16H14N2O2/c19-15-7-9-18(11-15)16(20)13-5-3-12(4-6-13)14-2-1-8-17-10-14/h1-6,8,10H,7,9,11H2
InChIKeyKJMTYVJWCZNORK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.16
Rot. Bonds2

About 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one

1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one (PubChem CID 142687637) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one
PubChem CID142687637
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one
SMILESO=C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C16H14N2O2/c19-15-7-9-18(11-15)16(20)13-5-3-12(4-6-13)14-2-1-8-17-10-14/h1-6,8,10H,7,9,11H2
InChIKeyKJMTYVJWCZNORK-UHFFFAOYSA-N
XLogP2.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylbenzoyl)azetidin-3-one
CID 67288829
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
pyridin-4-yl-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 77085984
[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 42245741
1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-pyridin-3-ylphenyl)methanone
CID 10335379
(4-methylphenyl)-(4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97462065
3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone
CID 139983113
phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 155566645
(4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 156528753
(4-fluorophenyl)-(4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97462066
1-(pyridazine-4-carbonyl)piperidin-3-one
CID 104670556
5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl-(4-phenylphenyl)methanone
CID 19600091

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one?
The IUPAC name of 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one (CID 142687637) is 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one?
The canonical SMILES for 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one is O=C1CCN(C(=O)c2ccc(-c3cccnc3)cc2)C1.
What is the InChIKey of 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one?
The InChIKey is KJMTYVJWCZNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-7-9-18(11-15)16(20)13-5-3-12(4-6-13)14-2-1-8-17-10-14/h1-6,8,10H,7,9,11H2.
What are the key properties of 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one?
1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one has a molecular weight of 266.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one is sourced from PubChem (CID 142687637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).