(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one

C9H13NO — CID 89194291

IUPAC(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
SMILESC/C=C1\C=CC(C)N(C)C1=O
InChIInChI=1S/C9H13NO/c1-4-8-6-5-7(2)10(3)9(8)11/h4-7H,1-3H3/b8-4+
InChIKeyKUSKEOILSYFJOI-XBXARRHUSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds

About (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one

(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one (PubChem CID 89194291) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
PubChem CID89194291
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
SMILESC/C=C1\C=CC(C)N(C)C1=O
InChIInChI=1S/C9H13NO/c1-4-8-6-5-7(2)10(3)9(8)11/h4-7H,1-3H3/b8-4+
InChIKeyKUSKEOILSYFJOI-XBXARRHUSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one?
The IUPAC name of (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one (CID 89194291) is (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one.
What is the SMILES notation for (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one?
The canonical SMILES for (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one is C/C=C1\C=CC(C)N(C)C1=O.
What is the InChIKey of (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one?
The InChIKey is KUSKEOILSYFJOI-XBXARRHUSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-6-5-7(2)10(3)9(8)11/h4-7H,1-3H3/b8-4+.
What are the key properties of (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one?
(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one is sourced from PubChem (CID 89194291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).