4-ethylidene-N,6-dimethylhept-5-enamide

C11H19NO — CID 123233077

IUPAC4-ethylidene-N,6-dimethylhept-5-enamide
SMILESCC=C(C=C(C)C)CCC(=O)NC
InChIInChI=1S/C11H19NO/c1-5-10(8-9(2)3)6-7-11(13)12-4/h5,8H,6-7H2,1-4H3,(H,12,13)
InChIKeyYTOSWMCMNUKIOI-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.43
Rot. Bonds4

About 4-ethylidene-N,6-dimethylhept-5-enamide

4-ethylidene-N,6-dimethylhept-5-enamide (PubChem CID 123233077) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-ethylidene-N,6-dimethylhept-5-enamide.

Molecular Properties

Compound Name4-ethylidene-N,6-dimethylhept-5-enamide
PubChem CID123233077
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-ethylidene-N,6-dimethylhept-5-enamide
SMILESCC=C(C=C(C)C)CCC(=O)NC
InChIInChI=1S/C11H19NO/c1-5-10(8-9(2)3)6-7-11(13)12-4/h5,8H,6-7H2,1-4H3,(H,12,13)
InChIKeyYTOSWMCMNUKIOI-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
(5S)-5-acetamido-N-methyl-4-oxohexanamide
CID 118531983
(Z)-N-methyl-4-methylidenehept-5-enamide
CID 142368118
ethane;(E)-N-methylhex-4-enamide
CID 178010594
(4E)-4-hydroxyimino-N-methylpentanamide
CID 55286829
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
N-methyl-5-methyliminohexanamide
CID 146580265
3-bromo-N-methylpropanamide
CID 23033748
N-methyl-3-sulfanylpropanamide
CID 642906
N-methylundecanamide
CID 23297450
N-methylheptacosanamide
CID 18175889
N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)
CID 90688519

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-N,6-dimethylhept-5-enamide?
The IUPAC name of 4-ethylidene-N,6-dimethylhept-5-enamide (CID 123233077) is 4-ethylidene-N,6-dimethylhept-5-enamide.
What is the SMILES notation for 4-ethylidene-N,6-dimethylhept-5-enamide?
The canonical SMILES for 4-ethylidene-N,6-dimethylhept-5-enamide is CC=C(C=C(C)C)CCC(=O)NC.
What is the InChIKey of 4-ethylidene-N,6-dimethylhept-5-enamide?
The InChIKey is YTOSWMCMNUKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-10(8-9(2)3)6-7-11(13)12-4/h5,8H,6-7H2,1-4H3,(H,12,13).
What are the key properties of 4-ethylidene-N,6-dimethylhept-5-enamide?
4-ethylidene-N,6-dimethylhept-5-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-N,6-dimethylhept-5-enamide is sourced from PubChem (CID 123233077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).