7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid

C12H10ClNO2 — CID 105497079

IUPAC7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
SMILESO=C(O)C1CCc2cc3ccc(Cl)cc3n21
InChIInChI=1S/C12H10ClNO2/c13-8-2-1-7-5-9-3-4-10(12(15)16)14(9)11(7)6-8/h1-2,5-6,10H,3-4H2,(H,15,16)
InChIKeyRDSWKSXAPJHQRK-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.87
Rot. Bonds1

About 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid

7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid (PubChem CID 105497079) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
PubChem CID105497079
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
SMILESO=C(O)C1CCc2cc3ccc(Cl)cc3n21
InChIInChI=1S/C12H10ClNO2/c13-8-2-1-7-5-9-3-4-10(12(15)16)14(9)11(7)6-8/h1-2,5-6,10H,3-4H2,(H,15,16)
InChIKeyRDSWKSXAPJHQRK-UHFFFAOYSA-N
XLogP2.87
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-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 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The IUPAC name of 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid (CID 105497079) is 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid.
What is the SMILES notation for 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The canonical SMILES for 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid is O=C(O)C1CCc2cc3ccc(Cl)cc3n21.
What is the InChIKey of 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
The InChIKey is RDSWKSXAPJHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-8-2-1-7-5-9-3-4-10(12(15)16)14(9)11(7)6-8/h1-2,5-6,10H,3-4H2,(H,15,16).
What are the key properties of 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid?
7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid has a molecular weight of 235.67 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid is sourced from PubChem (CID 105497079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).