2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H17NO — CID 3052862

IUPAC2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCC1(C(N)=O)CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-2-5-11(10(12)13)7-8-3-4-9(11)6-8/h3-4,8-9H,2,5-7H2,1H3,(H2,12,13)
InChIKeyMNKMXANEIVDRFR-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.85
Rot. Bonds3

About 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide

2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 3052862) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID3052862
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCC1(C(N)=O)CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-2-5-11(10(12)13)7-8-3-4-9(11)6-8/h3-4,8-9H,2,5-7H2,1H3,(H2,12,13)
InChIKeyMNKMXANEIVDRFR-UHFFFAOYSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide 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 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 3052862) is 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCCC1(C(N)=O)CC2C=CC1C2.
What is the InChIKey of 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is MNKMXANEIVDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-5-11(10(12)13)7-8-3-4-9(11)6-8/h3-4,8-9H,2,5-7H2,1H3,(H2,12,13).
What are the key properties of 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 3052862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).