ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one

C13H22N2O — CID 143839053

IUPACethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
SMILESC/C=C\C1=C(/C=N/C)C(=O)N(C)CC1.CC
InChIInChI=1S/C11H16N2O.C2H6/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3/b5-4-,12-8+;
InChIKeyVNYHTSWJNOUYBB-OBKTYYTPSA-N
MW222.33 g/mol
LogP2.45
Rot. Bonds2

About ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one

ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one (PubChem CID 143839053) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Nameethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
PubChem CID143839053
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
SMILESC/C=C\C1=C(/C=N/C)C(=O)N(C)CC1.CC
InChIInChI=1S/C11H16N2O.C2H6/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3/b5-4-,12-8+;
InChIKeyVNYHTSWJNOUYBB-OBKTYYTPSA-N
XLogP2.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methanimidoyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 89508403
3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide
CID 90845381
2-Ethenyl-5-ethylimino-1-(4-methylpiperazin-1-yl)pent-2-en-1-one
CID 90948746
N,N-dimethyl-3-(3-methyl-2,3-dihydropyridin-5-yl)prop-2-enamide
CID 91432633
5-methanimidoyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-6-one
CID 118287090
5-Ethenyl-1-methyl-4-prop-1-enyl-2,3-dihydropyridin-6-one
CID 123354602
1-methyl-5-(methyliminomethyl)-6-[(Z)-prop-1-enyl]-3,4-dihydropyridin-2-one
CID 132038327
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one
CID 134490391
ethane;4-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
CID 141879302
4,5-Bis(ethenyl)-1-methyl-2,3-dihydropyridin-6-one;ethane
CID 141934892
Ethane;1,3,4,7-tetrahydropyrido[3,4-c]azepine-2-carbaldehyde
CID 142988735
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-1-ethyl-2,3-dihydropyridin-6-one;ethane
CID 143012045

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The IUPAC name of ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one (CID 143839053) is ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one is C/C=C\C1=C(/C=N/C)C(=O)N(C)CC1.CC.
What is the InChIKey of ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
The InChIKey is VNYHTSWJNOUYBB-OBKTYYTPSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-4-5-9-6-7-13(3)11(14)10(9)8-12-2;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3/b5-4-,12-8+;.
What are the key properties of ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one?
ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one has a molecular weight of 222.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 143839053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).