1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone

C14H21NO — CID 90627099

IUPAC1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1C2C=CCC1CC2
InChIInChI=1S/C14H21NO/c16-14(10-11-4-1-2-5-11)15-12-6-3-7-13(15)9-8-12/h3,6,11-13H,1-2,4-5,7-10H2
InChIKeyLWVSEHZJZBBJTJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds2

About 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone

1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone (PubChem CID 90627099) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone
PubChem CID90627099
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1C2C=CCC1CC2
InChIInChI=1S/C14H21NO/c16-14(10-11-4-1-2-5-11)15-12-6-3-7-13(15)9-8-12/h3,6,11-13H,1-2,4-5,7-10H2
InChIKeyLWVSEHZJZBBJTJ-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone 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 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone (CID 90627099) is 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone is O=C(CC1CCCC1)N1C2C=CCC1CC2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone?
The InChIKey is LWVSEHZJZBBJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14(10-11-4-1-2-5-11)15-12-6-3-7-13(15)9-8-12/h3,6,11-13H,1-2,4-5,7-10H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone?
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone has a molecular weight of 219.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-cyclopentylethanone is sourced from PubChem (CID 90627099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).