3-amino-1H-pyridin-2-one;ethane

C7H12N2O — CID 91616687

IUPAC3-amino-1H-pyridin-2-one;ethane
SMILESCC.Nc1ccc[nH]c1=O
InChIInChI=1S/C5H6N2O.C2H6/c6-4-2-1-3-7-5(4)8;1-2/h1-3H,6H2,(H,7,8);1-2H3
InChIKeyXGXCPGRJROLZJZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.98
Rot. Bonds

About 3-amino-1H-pyridin-2-one;ethane

3-amino-1H-pyridin-2-one;ethane (PubChem CID 91616687) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-amino-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name3-amino-1H-pyridin-2-one;ethane
PubChem CID91616687
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-amino-1H-pyridin-2-one;ethane
SMILESCC.Nc1ccc[nH]c1=O
InChIInChI=1S/C5H6N2O.C2H6/c6-4-2-1-3-7-5(4)8;1-2/h1-3H,6H2,(H,7,8);1-2H3
InChIKeyXGXCPGRJROLZJZ-UHFFFAOYSA-N
XLogP0.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyridin-2-one;ethane?
The IUPAC name of 3-amino-1H-pyridin-2-one;ethane (CID 91616687) is 3-amino-1H-pyridin-2-one;ethane.
What is the SMILES notation for 3-amino-1H-pyridin-2-one;ethane?
The canonical SMILES for 3-amino-1H-pyridin-2-one;ethane is CC.Nc1ccc[nH]c1=O.
What is the InChIKey of 3-amino-1H-pyridin-2-one;ethane?
The InChIKey is XGXCPGRJROLZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2H6/c6-4-2-1-3-7-5(4)8;1-2/h1-3H,6H2,(H,7,8);1-2H3.
What are the key properties of 3-amino-1H-pyridin-2-one;ethane?
3-amino-1H-pyridin-2-one;ethane has a molecular weight of 140.19 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyridin-2-one;ethane is sourced from PubChem (CID 91616687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).