5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid

C15H15Cl2NO2 — CID 11645283

IUPAC5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21
InChIInChI=1S/C15H15Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h3-4,18H,2,5-7H2,1H3,(H,19,20)
InChIKeyZEBPOFKSMDBBIP-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.54
Rot. Bonds3

About 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid

5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid (PubChem CID 11645283) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid.

Molecular Properties

Compound Name5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
PubChem CID11645283
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21
InChIInChI=1S/C15H15Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h3-4,18H,2,5-7H2,1H3,(H,19,20)
InChIKeyZEBPOFKSMDBBIP-UHFFFAOYSA-N
XLogP4.54
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The IUPAC name of 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid (CID 11645283) is 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid.
What is the SMILES notation for 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The canonical SMILES for 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid is CCCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The InChIKey is ZEBPOFKSMDBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h3-4,18H,2,5-7H2,1H3,(H,19,20).
What are the key properties of 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid has a molecular weight of 312.20 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid is sourced from PubChem (CID 11645283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).