5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one

C11H16N2O — CID 168997209

IUPAC5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
SMILES[H]/N=C/C(C)=C\C1=C(C)N(C)C(=O)CC1
InChIInChI=1S/C11H16N2O/c1-8(7-12)6-10-4-5-11(14)13(3)9(10)2/h6-7,12H,4-5H2,1-3H3/b8-6-,12-7+
InChIKeyIXEVTSSSLBQOPB-LQNKLOEDSA-N
MW192.26 g/mol
LogP2.11
Rot. Bonds2

About 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one

5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one (PubChem CID 168997209) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
PubChem CID168997209
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
SMILES[H]/N=C/C(C)=C\C1=C(C)N(C)C(=O)CC1
InChIInChI=1S/C11H16N2O/c1-8(7-12)6-10-4-5-11(14)13(3)9(10)2/h6-7,12H,4-5H2,1-3H3/b8-6-,12-7+
InChIKeyIXEVTSSSLBQOPB-LQNKLOEDSA-N
XLogP2.11
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one?
The IUPAC name of 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one (CID 168997209) is 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one is [H]/N=C/C(C)=C\C1=C(C)N(C)C(=O)CC1.
What is the InChIKey of 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one?
The InChIKey is IXEVTSSSLBQOPB-LQNKLOEDSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(7-12)6-10-4-5-11(14)13(3)9(10)2/h6-7,12H,4-5H2,1-3H3/b8-6-,12-7+.
What are the key properties of 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one?
5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-imino-2-methylprop-1-enyl]-1,6-dimethyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 168997209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).