1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one

C17H22N2O — CID 145092411

IUPAC1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one
SMILESC/C=C\C1=C(/C=C/c2ccc(=O)n(C)c2)CCCN1C
InChIInChI=1S/C17H22N2O/c1-4-6-16-15(7-5-12-18(16)2)10-8-14-9-11-17(20)19(3)13-14/h4,6,8-11,13H,5,7,12H2,1-3H3/b6-4-,10-8+
InChIKeyJJNPLMMHSRFNHY-YUFRWXHNSA-N
MW270.38 g/mol
LogP2.95
Rot. Bonds3

About 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one

1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one (PubChem CID 145092411) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one
PubChem CID145092411
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one
SMILESC/C=C\C1=C(/C=C/c2ccc(=O)n(C)c2)CCCN1C
InChIInChI=1S/C17H22N2O/c1-4-6-16-15(7-5-12-18(16)2)10-8-14-9-11-17(20)19(3)13-14/h4,6,8-11,13H,5,7,12H2,1-3H3/b6-4-,10-8+
InChIKeyJJNPLMMHSRFNHY-YUFRWXHNSA-N
XLogP2.95
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one (CID 145092411) is 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one is C/C=C\C1=C(/C=C/c2ccc(=O)n(C)c2)CCCN1C.
What is the InChIKey of 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one?
The InChIKey is JJNPLMMHSRFNHY-YUFRWXHNSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-6-16-15(7-5-12-18(16)2)10-8-14-9-11-17(20)19(3)13-14/h4,6,8-11,13H,5,7,12H2,1-3H3/b6-4-,10-8+.
What are the key properties of 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one?
1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-2-[1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]ethenyl]pyridin-2-one is sourced from PubChem (CID 145092411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).