1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one

C17H22N2O2 — CID 172671068

IUPAC1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CC=CC1C(C)C
InChIInChI=1S/C17H22N2O2/c1-11(2)14-5-4-9-19(14)17(21)15-12(3)8-10-18(16(15)20)13-6-7-13/h4-5,8,10-11,13-14H,6-7,9H2,1-3H3
InChIKeyASNISOLYCFKEDG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds3

About 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one

1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one (PubChem CID 172671068) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one
PubChem CID172671068
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CC=CC1C(C)C
InChIInChI=1S/C17H22N2O2/c1-11(2)14-5-4-9-19(14)17(21)15-12(3)8-10-18(16(15)20)13-6-7-13/h4-5,8,10-11,13-14H,6-7,9H2,1-3H3
InChIKeyASNISOLYCFKEDG-UHFFFAOYSA-N
XLogP2.53
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one (CID 172671068) is 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one is Cc1ccn(C2CC2)c(=O)c1C(=O)N1CC=CC1C(C)C.
What is the InChIKey of 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one?
The InChIKey is ASNISOLYCFKEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)14-5-4-9-19(14)17(21)15-12(3)8-10-18(16(15)20)13-6-7-13/h4-5,8,10-11,13-14H,6-7,9H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one?
1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 172671068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).