(6E)-6-ethylidene-5-iminopyridin-2-one

C7H8N2O — CID 166467918

IUPAC(6E)-6-ethylidene-5-iminopyridin-2-one
SMILES[H]/N=C1\C=CC(=O)N\C1=C\C
InChIInChI=1S/C7H8N2O/c1-2-6-5(8)3-4-7(10)9-6/h2-4,8H,1H3,(H,9,10)/b6-2+,8-5+
InChIKeyPPAUYUZSWCDCJV-VXMRABFBSA-N
MW136.15 g/mol
LogP0.60
Rot. Bonds

About (6E)-6-ethylidene-5-iminopyridin-2-one

(6E)-6-ethylidene-5-iminopyridin-2-one (PubChem CID 166467918) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (6E)-6-ethylidene-5-iminopyridin-2-one.

Molecular Properties

Compound Name(6E)-6-ethylidene-5-iminopyridin-2-one
PubChem CID166467918
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(6E)-6-ethylidene-5-iminopyridin-2-one
SMILES[H]/N=C1\C=CC(=O)N\C1=C\C
InChIInChI=1S/C7H8N2O/c1-2-6-5(8)3-4-7(10)9-6/h2-4,8H,1H3,(H,9,10)/b6-2+,8-5+
InChIKeyPPAUYUZSWCDCJV-VXMRABFBSA-N
XLogP0.60
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.60
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 (6E)-6-ethylidene-5-iminopyridin-2-one?
The IUPAC name of (6E)-6-ethylidene-5-iminopyridin-2-one (CID 166467918) is (6E)-6-ethylidene-5-iminopyridin-2-one.
What is the SMILES notation for (6E)-6-ethylidene-5-iminopyridin-2-one?
The canonical SMILES for (6E)-6-ethylidene-5-iminopyridin-2-one is [H]/N=C1\C=CC(=O)N\C1=C\C.
What is the InChIKey of (6E)-6-ethylidene-5-iminopyridin-2-one?
The InChIKey is PPAUYUZSWCDCJV-VXMRABFBSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-6-5(8)3-4-7(10)9-6/h2-4,8H,1H3,(H,9,10)/b6-2+,8-5+.
What are the key properties of (6E)-6-ethylidene-5-iminopyridin-2-one?
(6E)-6-ethylidene-5-iminopyridin-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethylidene-5-iminopyridin-2-one is sourced from PubChem (CID 166467918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).