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

C20H32N2O — CID 143913843

IUPAC3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane
SMILESC=CC(=C)CCn1c(CN2CCCC2)c(C)cc(C)c1=O.CC
InChIInChI=1S/C18H26N2O.C2H6/c1-5-14(2)8-11-20-17(13-19-9-6-7-10-19)15(3)12-16(4)18(20)21;1-2/h5,12H,1-2,6-11,13H2,3-4H3;1-2H3
InChIKeyRVSZXKROGFWNQV-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.22
Rot. Bonds6

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

3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane (PubChem CID 143913843) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane
PubChem CID143913843
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane
SMILESC=CC(=C)CCn1c(CN2CCCC2)c(C)cc(C)c1=O.CC
InChIInChI=1S/C18H26N2O.C2H6/c1-5-14(2)8-11-20-17(13-19-9-6-7-10-19)15(3)12-16(4)18(20)21;1-2/h5,12H,1-2,6-11,13H2,3-4H3;1-2H3
InChIKeyRVSZXKROGFWNQV-UHFFFAOYSA-N
XLogP4.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane?
The IUPAC name of 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane (CID 143913843) is 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane.
What is the SMILES notation for 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane?
The canonical SMILES for 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane is C=CC(=C)CCn1c(CN2CCCC2)c(C)cc(C)c1=O.CC.
What is the InChIKey of 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane?
The InChIKey is RVSZXKROGFWNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.C2H6/c1-5-14(2)8-11-20-17(13-19-9-6-7-10-19)15(3)12-16(4)18(20)21;1-2/h5,12H,1-2,6-11,13H2,3-4H3;1-2H3.
What are the key properties of 3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane?
3,5-dimethyl-1-(3-methylidenepent-4-enyl)-6-(pyrrolidin-1-ylmethyl)pyridin-2-one;ethane has a molecular weight of 316.49 g/mol, XLogP of 4.22, 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;ethane is sourced from PubChem (CID 143913843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).