N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide

C10H15NO — CID 143087943

IUPACN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC(C)CC=C1
InChIInChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3,5-6,8H,4,7H2,1-2H3,(H,11,12)
InChIKeyXHZBCQTTZPLEFC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.64
Rot. Bonds2

About N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide

N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide (PubChem CID 143087943) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
PubChem CID143087943
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC(C)CC=C1
InChIInChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3,5-6,8H,4,7H2,1-2H3,(H,11,12)
InChIKeyXHZBCQTTZPLEFC-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The IUPAC name of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide (CID 143087943) is N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide is CC(=O)NCC1=CC(C)CC=C1.
What is the InChIKey of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
The InChIKey is XHZBCQTTZPLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-3-5-10(6-8)7-11-9(2)12/h3,5-6,8H,4,7H2,1-2H3,(H,11,12).
What are the key properties of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide?
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide is sourced from PubChem (CID 143087943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).