(E)-N-ethyl-N,2-dimethylnon-2-enamide

C13H25NO — CID 139971563

IUPAC(E)-N-ethyl-N,2-dimethylnon-2-enamide
SMILESCCCCCC/C=C(\C)C(=O)N(C)CC
InChIInChI=1S/C13H25NO/c1-5-7-8-9-10-11-12(3)13(15)14(4)6-2/h11H,5-10H2,1-4H3/b12-11+
InChIKeyVRBDGXMSWWIBEM-VAWYXSNFSA-N
MW211.35 g/mol
LogP3.38
Rot. Bonds7

About (E)-N-ethyl-N,2-dimethylnon-2-enamide

(E)-N-ethyl-N,2-dimethylnon-2-enamide (PubChem CID 139971563) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-N-ethyl-N,2-dimethylnon-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N,2-dimethylnon-2-enamide
PubChem CID139971563
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-N-ethyl-N,2-dimethylnon-2-enamide
SMILESCCCCCC/C=C(\C)C(=O)N(C)CC
InChIInChI=1S/C13H25NO/c1-5-7-8-9-10-11-12(3)13(15)14(4)6-2/h11H,5-10H2,1-4H3/b12-11+
InChIKeyVRBDGXMSWWIBEM-VAWYXSNFSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-diethyl geranylamine
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(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide
CID 10520811
1-methyl-1,2,5,6-tetrahydropyridine-3-(N,N-diethylcarboxamide)
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CID 173763342
1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrole-2,5-dione
CID 5981048
3-butyl-1-methyl-2H-pyrrol-5-one
CID 10844585
(E)-3-cyclohexyl-N,N-diethyl-2-methylprop-2-enamide
CID 11447419
5-Ethyl-3-methyl-1-propylpyridin-2-one
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CID 13331587

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N,2-dimethylnon-2-enamide?
The IUPAC name of (E)-N-ethyl-N,2-dimethylnon-2-enamide (CID 139971563) is (E)-N-ethyl-N,2-dimethylnon-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N,2-dimethylnon-2-enamide?
The canonical SMILES for (E)-N-ethyl-N,2-dimethylnon-2-enamide is CCCCCC/C=C(\C)C(=O)N(C)CC.
What is the InChIKey of (E)-N-ethyl-N,2-dimethylnon-2-enamide?
The InChIKey is VRBDGXMSWWIBEM-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-8-9-10-11-12(3)13(15)14(4)6-2/h11H,5-10H2,1-4H3/b12-11+.
What are the key properties of (E)-N-ethyl-N,2-dimethylnon-2-enamide?
(E)-N-ethyl-N,2-dimethylnon-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N,2-dimethylnon-2-enamide is sourced from PubChem (CID 139971563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).