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

C8H12N2O — CID 144917826

IUPACethane;3-methanimidoyl-1H-pyridin-2-one
SMILESCC.[H]/N=C/c1ccc[nH]c1=O
InChIInChI=1S/C6H6N2O.C2H6/c7-4-5-2-1-3-8-6(5)9;1-2/h1-4,7H,(H,8,9);1-2H3/b7-4+;
InChIKeyDLDHZXIHGBJVBY-KQGICBIGSA-N
MW152.20 g/mol
LogP1.40
Rot. Bonds1

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

ethane;3-methanimidoyl-1H-pyridin-2-one (PubChem CID 144917826) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is ethane;3-methanimidoyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-methanimidoyl-1H-pyridin-2-one
PubChem CID144917826
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Nameethane;3-methanimidoyl-1H-pyridin-2-one
SMILESCC.[H]/N=C/c1ccc[nH]c1=O
InChIInChI=1S/C6H6N2O.C2H6/c7-4-5-2-1-3-8-6(5)9;1-2/h1-4,7H,(H,8,9);1-2H3/b7-4+;
InChIKeyDLDHZXIHGBJVBY-KQGICBIGSA-N
XLogP1.40
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methanimidoyl-1H-pyridin-2-one?
The IUPAC name of ethane;3-methanimidoyl-1H-pyridin-2-one (CID 144917826) is ethane;3-methanimidoyl-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-methanimidoyl-1H-pyridin-2-one?
The canonical SMILES for ethane;3-methanimidoyl-1H-pyridin-2-one is CC.[H]/N=C/c1ccc[nH]c1=O.
What is the InChIKey of ethane;3-methanimidoyl-1H-pyridin-2-one?
The InChIKey is DLDHZXIHGBJVBY-KQGICBIGSA-N. The full InChI is InChI=1S/C6H6N2O.C2H6/c7-4-5-2-1-3-8-6(5)9;1-2/h1-4,7H,(H,8,9);1-2H3/b7-4+;.
What are the key properties of ethane;3-methanimidoyl-1H-pyridin-2-one?
ethane;3-methanimidoyl-1H-pyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methanimidoyl-1H-pyridin-2-one is sourced from PubChem (CID 144917826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).