azane;3-methyl-1H-pyridin-2-one

C6H10N2O — CID 67118899

IUPACazane;3-methyl-1H-pyridin-2-one
SMILESCc1ccc[nH]c1=O.N
InChIInChI=1S/C6H7NO.H3N/c1-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H3
InChIKeyNSVNXANBALLRRP-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.85
Rot. Bonds

About azane;3-methyl-1H-pyridin-2-one

azane;3-methyl-1H-pyridin-2-one (PubChem CID 67118899) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is azane;3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameazane;3-methyl-1H-pyridin-2-one
PubChem CID67118899
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Nameazane;3-methyl-1H-pyridin-2-one
SMILESCc1ccc[nH]c1=O.N
InChIInChI=1S/C6H7NO.H3N/c1-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H3
InChIKeyNSVNXANBALLRRP-UHFFFAOYSA-N
XLogP0.85
TPSA67.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;3-methyl-1H-pyridin-2-one?
The IUPAC name of azane;3-methyl-1H-pyridin-2-one (CID 67118899) is azane;3-methyl-1H-pyridin-2-one.
What is the SMILES notation for azane;3-methyl-1H-pyridin-2-one?
The canonical SMILES for azane;3-methyl-1H-pyridin-2-one is Cc1ccc[nH]c1=O.N.
What is the InChIKey of azane;3-methyl-1H-pyridin-2-one?
The InChIKey is NSVNXANBALLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.H3N/c1-5-3-2-4-7-6(5)8;/h2-4H,1H3,(H,7,8);1H3.
What are the key properties of azane;3-methyl-1H-pyridin-2-one?
azane;3-methyl-1H-pyridin-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 67118899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).