2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one

C16H16N2O2 — CID 121229997

IUPAC2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one
SMILESO=C(c1ccccc1-c1cc(=O)cc[nH]1)C1CCNC1
InChIInChI=1S/C16H16N2O2/c19-12-6-8-18-15(9-12)13-3-1-2-4-14(13)16(20)11-5-7-17-10-11/h1-4,6,8-9,11,17H,5,7,10H2,(H,18,19)
InChIKeyQWIWHRUPUSVHOG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.83
Rot. Bonds3

About 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one

2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one (PubChem CID 121229997) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one
PubChem CID121229997
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one
SMILESO=C(c1ccccc1-c1cc(=O)cc[nH]1)C1CCNC1
InChIInChI=1S/C16H16N2O2/c19-12-6-8-18-15(9-12)13-3-1-2-4-14(13)16(20)11-5-7-17-10-11/h1-4,6,8-9,11,17H,5,7,10H2,(H,18,19)
InChIKeyQWIWHRUPUSVHOG-UHFFFAOYSA-N
XLogP1.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone
CID 121230040
2-methoxy-4-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230068
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
piperidin-4-yl-[2-(1H-pyrrol-3-yl)phenyl]methanone;dihydrochloride
CID 174251698
5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230012
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
2-chloro-5-[2-(pyrrolidine-3-carbonyl)phenyl]pyridine-3-carboxylic acid
CID 121230032
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one?
The IUPAC name of 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one (CID 121229997) is 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one is O=C(c1ccccc1-c1cc(=O)cc[nH]1)C1CCNC1.
What is the InChIKey of 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one?
The InChIKey is QWIWHRUPUSVHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-12-6-8-18-15(9-12)13-3-1-2-4-14(13)16(20)11-5-7-17-10-11/h1-4,6,8-9,11,17H,5,7,10H2,(H,18,19).
What are the key properties of 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one?
2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one has a molecular weight of 268.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 121229997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).