8-methylidene-7-pyrrolidin-1-ylquinolin-2-one

C14H14N2O — CID 76851640

IUPAC8-methylidene-7-pyrrolidin-1-ylquinolin-2-one
SMILESC=c1c(N2CCCC2)ccc2c1=NC(=O)C=C2
InChIInChI=1S/C14H14N2O/c1-10-12(16-8-2-3-9-16)6-4-11-5-7-13(17)15-14(10)11/h4-7H,1-3,8-9H2
InChIKeyRRMZEBGFECIZHY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.87
Rot. Bonds1

About 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one

8-methylidene-7-pyrrolidin-1-ylquinolin-2-one (PubChem CID 76851640) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one.

Molecular Properties

Compound Name8-methylidene-7-pyrrolidin-1-ylquinolin-2-one
PubChem CID76851640
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name8-methylidene-7-pyrrolidin-1-ylquinolin-2-one
SMILESC=c1c(N2CCCC2)ccc2c1=NC(=O)C=C2
InChIInChI=1S/C14H14N2O/c1-10-12(16-8-2-3-9-16)6-4-11-5-7-13(17)15-14(10)11/h4-7H,1-3,8-9H2
InChIKeyRRMZEBGFECIZHY-UHFFFAOYSA-N
XLogP0.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 119081246
(6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten
CID 59061960
7-pyrrolidin-1-yl-2H-quinolin-3-one
CID 68520190
1H-indolizino[1,2-b]quinolin-9-one
CID 87652005
1-pentyl-2H-pyrrolo[3,2-c]quinolin-4-one
CID 88329918
1,2,3,5-Tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide
CID 140571827
(6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten(2+)
CID 20583431
5-(1-Methylpyrrolidin-2-ylidene)pyridin-2-one
CID 73129729
4-(pyrrolidin-1-ylmethyl)-4aH-quinolin-2-one
CID 76026437
7-(Ethylamino)-8-methylidenequinolin-2-one
CID 76851575
N-(1,6-dimethylquinolin-5-ylidene)acetamide
CID 124288572
(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 129408327

Frequently Asked Questions

What is the IUPAC name of 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one?
The IUPAC name of 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one (CID 76851640) is 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one.
What is the SMILES notation for 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one?
The canonical SMILES for 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one is C=c1c(N2CCCC2)ccc2c1=NC(=O)C=C2.
What is the InChIKey of 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one?
The InChIKey is RRMZEBGFECIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-12(16-8-2-3-9-16)6-4-11-5-7-13(17)15-14(10)11/h4-7H,1-3,8-9H2.
What are the key properties of 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one?
8-methylidene-7-pyrrolidin-1-ylquinolin-2-one has a molecular weight of 226.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-7-pyrrolidin-1-ylquinolin-2-one is sourced from PubChem (CID 76851640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).