4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one

C9H12N2O — CID 167209554

IUPAC4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one
SMILESC=NC1=C(/C=C\C)CNC(=O)C1
InChIInChI=1S/C9H12N2O/c1-3-4-7-6-11-9(12)5-8(7)10-2/h3-4H,2,5-6H2,1H3,(H,11,12)/b4-3-
InChIKeyAWCFVEXXFWRALT-ARJAWSKDSA-N
MW164.21 g/mol
LogP1.04
Rot. Bonds2

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

4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one (PubChem CID 167209554) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one
PubChem CID167209554
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one
SMILESC=NC1=C(/C=C\C)CNC(=O)C1
InChIInChI=1S/C9H12N2O/c1-3-4-7-6-11-9(12)5-8(7)10-2/h3-4H,2,5-6H2,1H3,(H,11,12)/b4-3-
InChIKeyAWCFVEXXFWRALT-ARJAWSKDSA-N
XLogP1.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 129180583
aziridin-2-one;formaldehyde
CID 19936529
aziridin-2-one
CID 158991665
ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 144600040
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739
3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one
CID 55287523
1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 143469017
6-iodo-2,4-dihydro-1H-isoquinolin-3-one
CID 143496799
4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine
CID 123515438
3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one
CID 20605812
acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 143469016
2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
CID 143302043

Frequently Asked Questions

What is the IUPAC name of 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one (CID 167209554) is 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one is C=NC1=C(/C=C\C)CNC(=O)C1.
What is the InChIKey of 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is AWCFVEXXFWRALT-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-4-7-6-11-9(12)5-8(7)10-2/h3-4H,2,5-6H2,1H3,(H,11,12)/b4-3-.
What are the key properties of 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one?
4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 164.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 167209554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).