2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide

C13H21NO — CID 20649897

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide
SMILESCCCCNC(=O)CC1CC2C=CC1C2
InChIInChI=1S/C13H21NO/c1-2-3-6-14-13(15)9-12-8-10-4-5-11(12)7-10/h4-5,10-12H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyZZKCNWHKMFLXLF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.51
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide

2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide (PubChem CID 20649897) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide
PubChem CID20649897
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide
SMILESCCCCNC(=O)CC1CC2C=CC1C2
InChIInChI=1S/C13H21NO/c1-2-3-6-14-13(15)9-12-8-10-4-5-11(12)7-10/h4-5,10-12H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyZZKCNWHKMFLXLF-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide 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

2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 118762697
S-(2-bicyclo[2.2.1]hept-5-enyl) N-butylcarbamothioate
CID 20649863
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 91774953
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl butanoate
CID 91136467
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide
CID 134224964
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide (CID 20649897) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide is CCCCNC(=O)CC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide?
The InChIKey is ZZKCNWHKMFLXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-6-14-13(15)9-12-8-10-4-5-11(12)7-10/h4-5,10-12H,2-3,6-9H2,1H3,(H,14,15).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide?
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide has a molecular weight of 207.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide is sourced from PubChem (CID 20649897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).