1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid

C15H25NO2 — CID 68521535

IUPAC1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid
SMILESO=C(O)C1CC2CCC=CCCCCCCN1C2
InChIInChI=1S/C15H25NO2/c17-15(18)14-11-13-9-7-5-3-1-2-4-6-8-10-16(14)12-13/h3,5,13-14H,1-2,4,6-12H2,(H,17,18)
InChIKeyBDERBJGMYRKGSK-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.06
Rot. Bonds1

About 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid

1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid (PubChem CID 68521535) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid.

Molecular Properties

Compound Name1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid
PubChem CID68521535
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid
SMILESO=C(O)C1CC2CCC=CCCCCCCN1C2
InChIInChI=1S/C15H25NO2/c17-15(18)14-11-13-9-7-5-3-1-2-4-6-8-10-16(14)12-13/h3,5,13-14H,1-2,4,6-12H2,(H,17,18)
InChIKeyBDERBJGMYRKGSK-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid 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

4-piperidin-1-ylpyrrolidine-1,2-dicarboxylic acid
CID 139534258
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
N,N-dimethyl-1-azabicyclo[3.2.1]octane-7-carboxamide
CID 121227558
carbonic acid;cyclooctene
CID 161186055
cyclodec-3-ene-1-carboxylic acid
CID 68707781
2-hydroxy-5-piperidin-1-ylcyclohexane-1-carboxylic acid
CID 71603394
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
4-(azepan-1-yl)cyclopent-2-ene-1-carboxylic acid
CID 79689638
methyl 1-azabicyclo[2.2.1]heptane-2-carboxylate
CID 67858492
(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000761
1-[(1S,4E)-cyclooct-4-en-1-yl]pyrrolidine
CID 144561428
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid?
The IUPAC name of 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid (CID 68521535) is 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid.
What is the SMILES notation for 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid?
The canonical SMILES for 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid is O=C(O)C1CC2CCC=CCCCCCCN1C2.
What is the InChIKey of 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid?
The InChIKey is BDERBJGMYRKGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-15(18)14-11-13-9-7-5-3-1-2-4-6-8-10-16(14)12-13/h3,5,13-14H,1-2,4,6-12H2,(H,17,18).
What are the key properties of 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid?
1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid has a molecular weight of 251.37 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[10.2.1]pentadec-8-ene-14-carboxylic acid is sourced from PubChem (CID 68521535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).