6-(5-chloroindol-1-yl)hexan-2-one

C14H16ClNO — CID 63879725

IUPAC6-(5-chloroindol-1-yl)hexan-2-one
SMILESCC(=O)CCCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C14H16ClNO/c1-11(17)4-2-3-8-16-9-7-12-10-13(15)5-6-14(12)16/h5-7,9-10H,2-4,8H2,1H3
InChIKeyOGUFLMINIHQFSC-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.05
Rot. Bonds5

About 6-(5-chloroindol-1-yl)hexan-2-one

6-(5-chloroindol-1-yl)hexan-2-one (PubChem CID 63879725) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-(5-chloroindol-1-yl)hexan-2-one.

Molecular Properties

Compound Name6-(5-chloroindol-1-yl)hexan-2-one
PubChem CID63879725
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name6-(5-chloroindol-1-yl)hexan-2-one
SMILESCC(=O)CCCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C14H16ClNO/c1-11(17)4-2-3-8-16-9-7-12-10-13(15)5-6-14(12)16/h5-7,9-10H,2-4,8H2,1H3
InChIKeyOGUFLMINIHQFSC-UHFFFAOYSA-N
XLogP4.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(6-chloroindol-1-yl)pentan-2-one
CID 62023769
6-(5-nitroindol-1-yl)hexan-2-one
CID 62023942
5-chloro-1-(3-ethylsulfonylpropyl)indole
CID 116623147
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956
3-(5-chloroindol-1-yl)propanehydrazide
CID 63878514
5-(6-chloroindol-1-yl)pentanamide
CID 114281787
4-(5-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one
CID 63879726
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
N-[2-(5-chloroindol-1-yl)ethyl]but-2-ynamide
CID 146075811
(E)-but-2-enedioic acid;2-(5-chloroindol-1-yl)ethanamine
CID 18986305
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 63879552

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloroindol-1-yl)hexan-2-one?
The IUPAC name of 6-(5-chloroindol-1-yl)hexan-2-one (CID 63879725) is 6-(5-chloroindol-1-yl)hexan-2-one.
What is the SMILES notation for 6-(5-chloroindol-1-yl)hexan-2-one?
The canonical SMILES for 6-(5-chloroindol-1-yl)hexan-2-one is CC(=O)CCCCn1ccc2cc(Cl)ccc21.
What is the InChIKey of 6-(5-chloroindol-1-yl)hexan-2-one?
The InChIKey is OGUFLMINIHQFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-11(17)4-2-3-8-16-9-7-12-10-13(15)5-6-14(12)16/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 6-(5-chloroindol-1-yl)hexan-2-one?
6-(5-chloroindol-1-yl)hexan-2-one has a molecular weight of 249.74 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloroindol-1-yl)hexan-2-one is sourced from PubChem (CID 63879725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).