2-methylidene-3H-pyridine;1H-pyridin-2-one

C11H12N2O — CID 161392799

IUPAC2-methylidene-3H-pyridine;1H-pyridin-2-one
SMILESC=C1CC=CC=N1.O=c1cccc[nH]1
InChIInChI=1S/C6H7N.C5H5NO/c1-6-4-2-3-5-7-6;7-5-3-1-2-4-6-5/h2-3,5H,1,4H2;1-4H,(H,6,7)
InChIKeyVTFCOASCOQIMSP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.91
Rot. Bonds

About 2-methylidene-3H-pyridine;1H-pyridin-2-one

2-methylidene-3H-pyridine;1H-pyridin-2-one (PubChem CID 161392799) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methylidene-3H-pyridine;1H-pyridin-2-one.

Molecular Properties

Compound Name2-methylidene-3H-pyridine;1H-pyridin-2-one
PubChem CID161392799
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-methylidene-3H-pyridine;1H-pyridin-2-one
SMILESC=C1CC=CC=N1.O=c1cccc[nH]1
InChIInChI=1S/C6H7N.C5H5NO/c1-6-4-2-3-5-7-6;7-5-3-1-2-4-6-5/h2-3,5H,1,4H2;1-4H,(H,6,7)
InChIKeyVTFCOASCOQIMSP-UHFFFAOYSA-N
XLogP1.91
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3H-pyridine;1H-pyridin-2-one?
The IUPAC name of 2-methylidene-3H-pyridine;1H-pyridin-2-one (CID 161392799) is 2-methylidene-3H-pyridine;1H-pyridin-2-one.
What is the SMILES notation for 2-methylidene-3H-pyridine;1H-pyridin-2-one?
The canonical SMILES for 2-methylidene-3H-pyridine;1H-pyridin-2-one is C=C1CC=CC=N1.O=c1cccc[nH]1.
What is the InChIKey of 2-methylidene-3H-pyridine;1H-pyridin-2-one?
The InChIKey is VTFCOASCOQIMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H5NO/c1-6-4-2-3-5-7-6;7-5-3-1-2-4-6-5/h2-3,5H,1,4H2;1-4H,(H,6,7).
What are the key properties of 2-methylidene-3H-pyridine;1H-pyridin-2-one?
2-methylidene-3H-pyridine;1H-pyridin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3H-pyridine;1H-pyridin-2-one is sourced from PubChem (CID 161392799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).