3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one

C18H26N2O — CID 143913844

IUPAC3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one
SMILESC=CC(=C)CCn1c(CN2CCCC2)c(C)cc(C)c1=O
InChIInChI=1S/C18H26N2O/c1-5-14(2)8-11-20-17(13-19-9-6-7-10-19)15(3)12-16(4)18(20)21/h5,12H,1-2,6-11,13H2,3-4H3
InChIKeyVMKDBDWALXKQTE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.19
Rot. Bonds6

About 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one

3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one (PubChem CID 143913844) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one
PubChem CID143913844
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one
SMILESC=CC(=C)CCn1c(CN2CCCC2)c(C)cc(C)c1=O
InChIInChI=1S/C18H26N2O/c1-5-14(2)8-11-20-17(13-19-9-6-7-10-19)15(3)12-16(4)18(20)21/h5,12H,1-2,6-11,13H2,3-4H3
InChIKeyVMKDBDWALXKQTE-UHFFFAOYSA-N
XLogP3.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one
CID 44561466
6-ethyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-4-carboxamide
CID 74245334
1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122623743
1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
CID 122633271
1-fluoro-6-methyl-8-propan-2-yl-2,3-dihydro-1H-indolizin-5-one
CID 126608819
1-Fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
CID 126608823
1,1-Difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one;ethane
CID 145172236
1,7-ditert-butyl-3,6-dihydro-2H-pyrrolo[2,3-c]azepin-8-one
CID 20773231
N-tert-butyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 57861923
Cyclohexa-1,5-dien-1-yl(pyrrolidin-1-yl)methanone
CID 68102211
1-Butyl-6-ethyl-3,5-dimethylpyridin-2-one
CID 68167464
5-[5-ethyl-2-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridin-6-yl]-6-methyl-1H-pyridin-2-one
CID 69539392

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one?
The IUPAC name of 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one (CID 143913844) is 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one?
The canonical SMILES for 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one is C=CC(=C)CCn1c(CN2CCCC2)c(C)cc(C)c1=O.
What is the InChIKey of 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one?
The InChIKey is VMKDBDWALXKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-14(2)8-11-20-17(13-19-9-6-7-10-19)15(3)12-16(4)18(20)21/h5,12H,1-2,6-11,13H2,3-4H3.
What are the key properties of 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one?
3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one is sourced from PubChem (CID 143913844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).