1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone

C10H12N2O — CID 170010321

IUPAC1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone
SMILESC=C/N=c1\ccc(C(C)=O)cn1C
InChIInChI=1S/C10H12N2O/c1-4-11-10-6-5-9(8(2)13)7-12(10)3/h4-7H,1H2,2-3H3/b11-10+
InChIKeyRPFORZPGSXOVQW-ZHACJKMWSA-N
MW176.22 g/mol
LogP1.27
Rot. Bonds2

About 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone

1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone (PubChem CID 170010321) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone
PubChem CID170010321
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone
SMILESC=C/N=c1\ccc(C(C)=O)cn1C
InChIInChI=1S/C10H12N2O/c1-4-11-10-6-5-9(8(2)13)7-12(10)3/h4-7H,1H2,2-3H3/b11-10+
InChIKeyRPFORZPGSXOVQW-ZHACJKMWSA-N
XLogP1.27
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58078614
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CID 59165922
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CID 89095992
CID 89095992
CID 144213440
CID 144213440
CID 144718935
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CID 145628417
CID 145628417
CID 153671428
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CID 155727517
CID 155727517
CID 166527162
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CID 174524775
CID 174524775

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone (CID 170010321) is 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone is C=C/N=c1\ccc(C(C)=O)cn1C.
What is the InChIKey of 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone?
The InChIKey is RPFORZPGSXOVQW-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-11-10-6-5-9(8(2)13)7-12(10)3/h4-7H,1H2,2-3H3/b11-10+.
What are the key properties of 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone?
1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone has a molecular weight of 176.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenylimino-1-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 170010321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).