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

C15H13Cl2NO2 — CID 11500555

IUPAC5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
SMILESC=CCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21
InChIInChI=1S/C15H13Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h2-4,18H,1,5-7H2,(H,19,20)
InChIKeyUVKVBHPKFLJUCF-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.32
Rot. Bonds3

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

5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid (PubChem CID 11500555) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid.

Molecular Properties

Compound Name5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
PubChem CID11500555
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
SMILESC=CCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21
InChIInChI=1S/C15H13Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h2-4,18H,1,5-7H2,(H,19,20)
InChIKeyUVKVBHPKFLJUCF-UHFFFAOYSA-N
XLogP4.32
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The IUPAC name of 5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid (CID 11500555) is 5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid.
What is the SMILES notation for 5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The canonical SMILES for 5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid is C=CCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The InChIKey is UVKVBHPKFLJUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h2-4,18H,1,5-7H2,(H,19,20).
What are the key properties of 5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
5,8-dichloro-3-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid has a molecular weight of 310.18 g/mol, XLogP of 4.32, 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-prop-2-enyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid is sourced from PubChem (CID 11500555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).