1-chloropentane;1H-indole

C13H18ClN — CID 174343786

IUPAC1-chloropentane;1H-indole
SMILESCCCCCCl.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C5H11Cl/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4-5-6/h1-6,9H;2-5H2,1H3
InChIKeyFHOJTVWHLNNERK-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.58
Rot. Bonds3

About 1-chloropentane;1H-indole

1-chloropentane;1H-indole (PubChem CID 174343786) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-chloropentane;1H-indole.

Molecular Properties

Compound Name1-chloropentane;1H-indole
PubChem CID174343786
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-chloropentane;1H-indole
SMILESCCCCCCl.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C5H11Cl/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4-5-6/h1-6,9H;2-5H2,1H3
InChIKeyFHOJTVWHLNNERK-UHFFFAOYSA-N
XLogP4.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;1H-indole?
The IUPAC name of 1-chloropentane;1H-indole (CID 174343786) is 1-chloropentane;1H-indole.
What is the SMILES notation for 1-chloropentane;1H-indole?
The canonical SMILES for 1-chloropentane;1H-indole is CCCCCCl.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-chloropentane;1H-indole?
The InChIKey is FHOJTVWHLNNERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C5H11Cl/c1-2-4-8-7(3-1)5-6-9-8;1-2-3-4-5-6/h1-6,9H;2-5H2,1H3.
What are the key properties of 1-chloropentane;1H-indole?
1-chloropentane;1H-indole has a molecular weight of 223.75 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;1H-indole is sourced from PubChem (CID 174343786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).