(E)-N,N-dimethyl-4-oxooct-6-enamide

C10H17NO2 — CID 102084043

IUPAC(E)-N,N-dimethyl-4-oxooct-6-enamide
SMILESC/C=C/CC(=O)CCC(=O)N(C)C
InChIInChI=1S/C10H17NO2/c1-4-5-6-9(12)7-8-10(13)11(2)3/h4-5H,6-8H2,1-3H3/b5-4+
InChIKeyJCRWMVZIPSBVLJ-SNAWJCMRSA-N
MW183.25 g/mol
LogP1.39
Rot. Bonds5

About (E)-N,N-dimethyl-4-oxooct-6-enamide

(E)-N,N-dimethyl-4-oxooct-6-enamide (PubChem CID 102084043) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-N,N-dimethyl-4-oxooct-6-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-4-oxooct-6-enamide
PubChem CID102084043
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-N,N-dimethyl-4-oxooct-6-enamide
SMILESC/C=C/CC(=O)CCC(=O)N(C)C
InChIInChI=1S/C10H17NO2/c1-4-5-6-9(12)7-8-10(13)11(2)3/h4-5H,6-8H2,1-3H3/b5-4+
InChIKeyJCRWMVZIPSBVLJ-SNAWJCMRSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N-dimethyl-4-oxooct-6-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-non-2-en-5-one
CID 15142787
(Z)-N-methoxy-N-methylpent-3-enamide
CID 143446691
(E)-N,N-dimethyloct-4-enamide
CID 13308679
N,N-dimethylbutanamide;hydrochloride
CID 87498306
(E)-pent-3-enoyl chloride
CID 6442180
N,N-dimethylpent-4-enamide
CID 13308678
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
N,N-dimethylnon-6-enamide
CID 76781952
(E)-N,N-dimethyldec-4-enamide
CID 13308680
2-ethylidenehex-4-enoic acid
CID 154267649
(5Z)-hepta-1,5-dien-3-one
CID 13310111
3-methoxy-N,N-dimethylpropanamide
CID 159478663

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-4-oxooct-6-enamide?
The IUPAC name of (E)-N,N-dimethyl-4-oxooct-6-enamide (CID 102084043) is (E)-N,N-dimethyl-4-oxooct-6-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-4-oxooct-6-enamide?
The canonical SMILES for (E)-N,N-dimethyl-4-oxooct-6-enamide is C/C=C/CC(=O)CCC(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-4-oxooct-6-enamide?
The InChIKey is JCRWMVZIPSBVLJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-6-9(12)7-8-10(13)11(2)3/h4-5H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-N,N-dimethyl-4-oxooct-6-enamide?
(E)-N,N-dimethyl-4-oxooct-6-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-4-oxooct-6-enamide is sourced from PubChem (CID 102084043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).