3-(1-chloro-2-cyclopentylethyl)-9H-carbazole

C19H20ClN — CID 63433864

IUPAC3-(1-chloro-2-cyclopentylethyl)-9H-carbazole
SMILESClC(CC1CCCC1)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C19H20ClN/c20-17(11-13-5-1-2-6-13)14-9-10-19-16(12-14)15-7-3-4-8-18(15)21-19/h3-4,7-10,12-13,17,21H,1-2,5-6,11H2
InChIKeyBNTLUEQFMDMMPC-UHFFFAOYSA-N
MW297.83 g/mol
LogP6.18
Rot. Bonds3

About 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole

3-(1-chloro-2-cyclopentylethyl)-9H-carbazole (PubChem CID 63433864) has the molecular formula C19H20ClN and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole.

Molecular Properties

Compound Name3-(1-chloro-2-cyclopentylethyl)-9H-carbazole
PubChem CID63433864
Molecular FormulaC19H20ClN
Molecular Weight297.83 g/mol
Exact Mass297.13
IUPAC Name3-(1-chloro-2-cyclopentylethyl)-9H-carbazole
SMILESClC(CC1CCCC1)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C19H20ClN/c20-17(11-13-5-1-2-6-13)14-9-10-19-16(12-14)15-7-3-4-8-18(15)21-19/h3-4,7-10,12-13,17,21H,1-2,5-6,11H2
InChIKeyBNTLUEQFMDMMPC-UHFFFAOYSA-N
XLogP6.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.83
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole?
The IUPAC name of 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole (CID 63433864) is 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole.
What is the SMILES notation for 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole?
The canonical SMILES for 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole is ClC(CC1CCCC1)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole?
The InChIKey is BNTLUEQFMDMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN/c20-17(11-13-5-1-2-6-13)14-9-10-19-16(12-14)15-7-3-4-8-18(15)21-19/h3-4,7-10,12-13,17,21H,1-2,5-6,11H2.
What are the key properties of 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole?
3-(1-chloro-2-cyclopentylethyl)-9H-carbazole has a molecular weight of 297.83 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2-cyclopentylethyl)-9H-carbazole is sourced from PubChem (CID 63433864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).