9-(3-chloropropyl)-3-ethylcarbazole

C17H18ClN — CID 18782755

IUPAC9-(3-chloropropyl)-3-ethylcarbazole
SMILESCCc1ccc2c(c1)c1ccccc1n2CCCCl
InChIInChI=1S/C17H18ClN/c1-2-13-8-9-17-15(12-13)14-6-3-4-7-16(14)19(17)11-5-10-18/h3-4,6-9,12H,2,5,10-11H2,1H3
InChIKeyKJWZKDRLSRWBTK-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.99
Rot. Bonds4

About 9-(3-chloropropyl)-3-ethylcarbazole

9-(3-chloropropyl)-3-ethylcarbazole (PubChem CID 18782755) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 9-(3-chloropropyl)-3-ethylcarbazole.

Molecular Properties

Compound Name9-(3-chloropropyl)-3-ethylcarbazole
PubChem CID18782755
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name9-(3-chloropropyl)-3-ethylcarbazole
SMILESCCc1ccc2c(c1)c1ccccc1n2CCCCl
InChIInChI=1S/C17H18ClN/c1-2-13-8-9-17-15(12-13)14-6-3-4-7-16(14)19(17)11-5-10-18/h3-4,6-9,12H,2,5,10-11H2,1H3
InChIKeyKJWZKDRLSRWBTK-UHFFFAOYSA-N
XLogP4.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-(3-chloropropyl)-3-ethylcarbazole?
The IUPAC name of 9-(3-chloropropyl)-3-ethylcarbazole (CID 18782755) is 9-(3-chloropropyl)-3-ethylcarbazole.
What is the SMILES notation for 9-(3-chloropropyl)-3-ethylcarbazole?
The canonical SMILES for 9-(3-chloropropyl)-3-ethylcarbazole is CCc1ccc2c(c1)c1ccccc1n2CCCCl.
What is the InChIKey of 9-(3-chloropropyl)-3-ethylcarbazole?
The InChIKey is KJWZKDRLSRWBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-2-13-8-9-17-15(12-13)14-6-3-4-7-16(14)19(17)11-5-10-18/h3-4,6-9,12H,2,5,10-11H2,1H3.
What are the key properties of 9-(3-chloropropyl)-3-ethylcarbazole?
9-(3-chloropropyl)-3-ethylcarbazole has a molecular weight of 271.79 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloropropyl)-3-ethylcarbazole is sourced from PubChem (CID 18782755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).