N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide

C10H15NO — CID 135037979

IUPACN-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide
SMILESCC(=O)NC(C)C1=CCCC=C1
InChIInChI=1S/C10H15NO/c1-8(11-9(2)12)10-6-4-3-5-7-10/h4,6-8H,3,5H2,1-2H3,(H,11,12)
InChIKeyQLRHRXQABUATBK-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds2

About N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide

N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide (PubChem CID 135037979) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide
PubChem CID135037979
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide
SMILESCC(=O)NC(C)C1=CCCC=C1
InChIInChI=1S/C10H15NO/c1-8(11-9(2)12)10-6-4-3-5-7-10/h4,6-8H,3,5H2,1-2H3,(H,11,12)
InChIKeyQLRHRXQABUATBK-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide 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

Dehydro-gamma-sanshool
CID 5316465
(2E,4E,8E)-N-butan-2-yldeca-2,4,8-trienamide
CID 6433895
(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide
CID 44561467
N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide
CID 163067931
Cambridge id 5152411
CID 6456052
N-(2-cyclohexen-1-yl)acetamide
CID 10219472
6-Methyl-5,6-dihydropyridin-2(1h)-one
CID 241023
3,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12007567
(Acetamidomethyl)cyclopentadiene
CID 13311389
N-(2-cyclohexa-1,4-dien-1-ylethyl)acetamide
CID 172355103
N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
CID 88935026
N-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073501

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide?
The IUPAC name of N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide (CID 135037979) is N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide.
What is the SMILES notation for N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide?
The canonical SMILES for N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide is CC(=O)NC(C)C1=CCCC=C1.
What is the InChIKey of N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide?
The InChIKey is QLRHRXQABUATBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(11-9(2)12)10-6-4-3-5-7-10/h4,6-8H,3,5H2,1-2H3,(H,11,12).
What are the key properties of N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide?
N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide is sourced from PubChem (CID 135037979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).