ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one

C12H20N2O — CID 145394193

IUPACethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
SMILESC=CC1=C(/N=C/C)CCN(C)C1=O.CC
InChIInChI=1S/C10H14N2O.C2H6/c1-4-8-9(11-5-2)6-7-12(3)10(8)13;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b11-5+;
InChIKeyUOIITXODEDYPNU-HMXKFKBXSA-N
MW208.30 g/mol
LogP2.41
Rot. Bonds2

About ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one

ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one (PubChem CID 145394193) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Nameethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
PubChem CID145394193
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Nameethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
SMILESC=CC1=C(/N=C/C)CCN(C)C1=O.CC
InChIInChI=1S/C10H14N2O.C2H6/c1-4-8-9(11-5-2)6-7-12(3)10(8)13;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b11-5+;
InChIKeyUOIITXODEDYPNU-HMXKFKBXSA-N
XLogP2.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.41
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

6,8-Dimethyl-1,6-naphthyridin-7-one
CID 59283979
5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one
CID 67962240
1,6-Dimethyl-5-(methyliminomethyl)pyridin-2-one
CID 123207508
Ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
CID 142389284
ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 143711214
ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 143818770
5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one
CID 143848949
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
5-Ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145293390
6-Acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane
CID 153345183
1,4-dimethyl-3H-pyridin-1-ium-2-one;1,6-dimethylpyridin-2-one
CID 159185875
3-(ethylideneamino)-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 167240247

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one (CID 145394193) is ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one is C=CC1=C(/N=C/C)CCN(C)C1=O.CC.
What is the InChIKey of ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is UOIITXODEDYPNU-HMXKFKBXSA-N. The full InChI is InChI=1S/C10H14N2O.C2H6/c1-4-8-9(11-5-2)6-7-12(3)10(8)13;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b11-5+;.
What are the key properties of ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one?
ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 208.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 145394193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).