1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid

C15H18O2 — CID 71370155

IUPAC1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid
SMILESO=C(O)c1cc2c(c3c1CCC3)CCCCC2
InChIInChI=1S/C15H18O2/c16-15(17)14-9-10-5-2-1-3-6-11(10)12-7-4-8-13(12)14/h9H,1-8H2,(H,16,17)
InChIKeyXBLXUSCOGCBOIC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.14
Rot. Bonds1

About 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid

1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid (PubChem CID 71370155) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid.

Molecular Properties

Compound Name1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid
PubChem CID71370155
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid
SMILESO=C(O)c1cc2c(c3c1CCC3)CCCCC2
InChIInChI=1S/C15H18O2/c16-15(17)14-9-10-5-2-1-3-6-11(10)12-7-4-8-13(12)14/h9H,1-8H2,(H,16,17)
InChIKeyXBLXUSCOGCBOIC-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid?
The IUPAC name of 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid (CID 71370155) is 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid.
What is the SMILES notation for 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid?
The canonical SMILES for 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid is O=C(O)c1cc2c(c3c1CCC3)CCCCC2.
What is the InChIKey of 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid?
The InChIKey is XBLXUSCOGCBOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-15(17)14-9-10-5-2-1-3-6-11(10)12-7-4-8-13(12)14/h9H,1-8H2,(H,16,17).
What are the key properties of 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid?
1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid is sourced from PubChem (CID 71370155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).