6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one

C9H10N2O — CID 146238660

IUPAC6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one
SMILESC=Cc1[nH]c(=O)ccc1/C=N/C
InChIInChI=1S/C9H10N2O/c1-3-8-7(6-10-2)4-5-9(12)11-8/h3-6H,1H2,2H3,(H,11,12)/b10-6+
InChIKeyKWEBTUMMTGEPGD-UXBLZVDNSA-N
MW162.19 g/mol
LogP1.07
Rot. Bonds2

About 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one

6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one (PubChem CID 146238660) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one
PubChem CID146238660
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one
SMILESC=Cc1[nH]c(=O)ccc1/C=N/C
InChIInChI=1S/C9H10N2O/c1-3-8-7(6-10-2)4-5-9(12)11-8/h3-6H,1H2,2H3,(H,11,12)/b10-6+
InChIKeyKWEBTUMMTGEPGD-UXBLZVDNSA-N
XLogP1.07
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.07
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

(S)-6-hydroxynornicotine
CID 119081247
(5Z)-5-(1-methylpyrrolidin-1-ium-2-ylidene)pyridin-2-one
CID 119081245
5-(Aminomethyl)-6-methylpyridin-2(1H)-one
CID 45079792
7,8-dihydro-1H-1,6-naphthyridin-2-one
CID 68299465
(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide
CID 70232698
5-[(Z)-2-iodoethenyl]-6-methanimidoyl-3-methyl-1H-pyridin-2-one
CID 89552487
3-Methyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one
CID 90168215
6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one
CID 90889194
1,6-Dimethyl-5-(methyliminomethyl)pyridin-2-one
CID 123207508
5-Methyl-1,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 136010443
4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078769
8-methyl-7,8-dihydro-1H-1,6-naphthyridin-2-one
CID 141412925

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one (CID 146238660) is 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one is C=Cc1[nH]c(=O)ccc1/C=N/C.
What is the InChIKey of 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one?
The InChIKey is KWEBTUMMTGEPGD-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-8-7(6-10-2)4-5-9(12)11-8/h3-6H,1H2,2H3,(H,11,12)/b10-6+.
What are the key properties of 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one?
6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 146238660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).