3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid

C16H19NO3 — CID 63783003

IUPAC3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2Cc3ccccc3C2)C1
InChIInChI=1S/C16H19NO3/c18-15(11-6-3-7-12(8-11)16(19)20)17-9-13-4-1-2-5-14(13)10-17/h1-2,4-5,11-12H,3,6-10H2,(H,19,20)
InChIKeyRZIDJMCTOZSUMD-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.42
Rot. Bonds2

About 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid

3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63783003) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63783003
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2Cc3ccccc3C2)C1
InChIInChI=1S/C16H19NO3/c18-15(11-6-3-7-12(8-11)16(19)20)17-9-13-4-1-2-5-14(13)10-17/h1-2,4-5,11-12H,3,6-10H2,(H,19,20)
InChIKeyRZIDJMCTOZSUMD-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-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 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid (CID 63783003) is 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)N2Cc3ccccc3C2)C1.
What is the InChIKey of 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is RZIDJMCTOZSUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(11-6-3-7-12(8-11)16(19)20)17-9-13-4-1-2-5-14(13)10-17/h1-2,4-5,11-12H,3,6-10H2,(H,19,20).
What are the key properties of 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid?
3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindole-2-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).