(1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid

C16H17ClO2 — CID 129391781

IUPAC(1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2cc(C=C3CCCC3)c(Cl)cc21
InChIInChI=1S/C16H17ClO2/c17-15-9-14-11(5-6-13(14)16(18)19)8-12(15)7-10-3-1-2-4-10/h7-9,13H,1-6H2,(H,18,19)/t13-/m1/s1
InChIKeyOAUUDROASLYWIU-CYBMUJFWSA-N
MW276.76 g/mol
LogP4.41
Rot. Bonds2

About (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid

(1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 129391781) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID129391781
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2cc(C=C3CCCC3)c(Cl)cc21
InChIInChI=1S/C16H17ClO2/c17-15-9-14-11(5-6-13(14)16(18)19)8-12(15)7-10-3-1-2-4-10/h7-9,13H,1-6H2,(H,18,19)/t13-/m1/s1
InChIKeyOAUUDROASLYWIU-CYBMUJFWSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-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 (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid (CID 129391781) is (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)[C@@H]1CCc2cc(C=C3CCCC3)c(Cl)cc21.
What is the InChIKey of (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is OAUUDROASLYWIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17ClO2/c17-15-9-14-11(5-6-13(14)16(18)19)8-12(15)7-10-3-1-2-4-10/h7-9,13H,1-6H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid?
(1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 276.76 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-chloro-5-(cyclopentylidenemethyl)-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 129391781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).