N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide

C11H19NO — CID 59050007

IUPACN-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide
SMILESCC(=O)NC1(CC(C)C)CC=CC1
InChIInChI=1S/C11H19NO/c1-9(2)8-11(12-10(3)13)6-4-5-7-11/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKeyRWKZVRYKMBMPJJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide

N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide (PubChem CID 59050007) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide
PubChem CID59050007
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide
SMILESCC(=O)NC1(CC(C)C)CC=CC1
InChIInChI=1S/C11H19NO/c1-9(2)8-11(12-10(3)13)6-4-5-7-11/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKeyRWKZVRYKMBMPJJ-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]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-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide?
The IUPAC name of N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide (CID 59050007) is N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide.
What is the SMILES notation for N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide?
The canonical SMILES for N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide is CC(=O)NC1(CC(C)C)CC=CC1.
What is the InChIKey of N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide?
The InChIKey is RWKZVRYKMBMPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)8-11(12-10(3)13)6-4-5-7-11/h4-5,9H,6-8H2,1-3H3,(H,12,13).
What are the key properties of N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide?
N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)cyclopent-3-en-1-yl]acetamide is sourced from PubChem (CID 59050007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).