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

C11H19NO — CID 143617273

IUPACethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
SMILESC/C=C1\C=CC(C)N(C)C1=O.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-8-6-5-7(2)10(3)9(8)11;1-2/h4-7H,1-3H3;1-2H3/b8-4+;
InChIKeyNVBVKCRSIVJQHA-ZFXMFRGYSA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds

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

ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one (PubChem CID 143617273) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one.

Molecular Properties

Compound Nameethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
PubChem CID143617273
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one
SMILESC/C=C1\C=CC(C)N(C)C1=O.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-8-6-5-7(2)10(3)9(8)11;1-2/h4-7H,1-3H3;1-2H3/b8-4+;
InChIKeyNVBVKCRSIVJQHA-ZFXMFRGYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.38
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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Related Compounds

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1,5,6-Trimethyl-2-pyridone
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1,5-Dimethyl-2,3-dihydropyridin-6-one
CID 89095909
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CID 89728117

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one?
The IUPAC name of ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one (CID 143617273) is ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one.
What is the SMILES notation for ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one?
The canonical SMILES for ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one is C/C=C1\C=CC(C)N(C)C1=O.CC.
What is the InChIKey of ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one?
The InChIKey is NVBVKCRSIVJQHA-ZFXMFRGYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-4-8-6-5-7(2)10(3)9(8)11;1-2/h4-7H,1-3H3;1-2H3/b8-4+;.
What are the key properties of ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one?
ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one has a molecular weight of 181.28 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-5-ethylidene-1,2-dimethyl-2H-pyridin-6-one is sourced from PubChem (CID 143617273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).