bicyclo[3.2.1]octane-3-carboxamide

C9H15NO — CID 54339658

IUPACbicyclo[3.2.1]octane-3-carboxamide
SMILESNC(=O)C1CC2CCC(C2)C1
InChIInChI=1S/C9H15NO/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H2,10,11)
InChIKeyTYAFWBLREMAJBY-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.30
Rot. Bonds1

About bicyclo[3.2.1]octane-3-carboxamide

bicyclo[3.2.1]octane-3-carboxamide (PubChem CID 54339658) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is bicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Namebicyclo[3.2.1]octane-3-carboxamide
PubChem CID54339658
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Namebicyclo[3.2.1]octane-3-carboxamide
SMILESNC(=O)C1CC2CCC(C2)C1
InChIInChI=1S/C9H15NO/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H2,10,11)
InChIKeyTYAFWBLREMAJBY-UHFFFAOYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze bicyclo[3.2.1]octane-3-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 bicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of bicyclo[3.2.1]octane-3-carboxamide (CID 54339658) is bicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for bicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for bicyclo[3.2.1]octane-3-carboxamide is NC(=O)C1CC2CCC(C2)C1.
What is the InChIKey of bicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is TYAFWBLREMAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H2,10,11).
What are the key properties of bicyclo[3.2.1]octane-3-carboxamide?
bicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 153.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 54339658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).