6-(7-chloroindol-1-yl)hexan-3-one

C14H16ClNO — CID 106801891

IUPAC6-(7-chloroindol-1-yl)hexan-3-one
SMILESCCC(=O)CCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C14H16ClNO/c1-2-12(17)6-4-9-16-10-8-11-5-3-7-13(15)14(11)16/h3,5,7-8,10H,2,4,6,9H2,1H3
InChIKeySNFWQJVKEBYXAC-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.05
Rot. Bonds5

About 6-(7-chloroindol-1-yl)hexan-3-one

6-(7-chloroindol-1-yl)hexan-3-one (PubChem CID 106801891) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-(7-chloroindol-1-yl)hexan-3-one.

Molecular Properties

Compound Name6-(7-chloroindol-1-yl)hexan-3-one
PubChem CID106801891
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name6-(7-chloroindol-1-yl)hexan-3-one
SMILESCCC(=O)CCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C14H16ClNO/c1-2-12(17)6-4-9-16-10-8-11-5-3-7-13(15)14(11)16/h3,5,7-8,10H,2,4,6,9H2,1H3
InChIKeySNFWQJVKEBYXAC-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

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloroindol-1-yl)hexan-3-one?
The IUPAC name of 6-(7-chloroindol-1-yl)hexan-3-one (CID 106801891) is 6-(7-chloroindol-1-yl)hexan-3-one.
What is the SMILES notation for 6-(7-chloroindol-1-yl)hexan-3-one?
The canonical SMILES for 6-(7-chloroindol-1-yl)hexan-3-one is CCC(=O)CCCn1ccc2cccc(Cl)c21.
What is the InChIKey of 6-(7-chloroindol-1-yl)hexan-3-one?
The InChIKey is SNFWQJVKEBYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-2-12(17)6-4-9-16-10-8-11-5-3-7-13(15)14(11)16/h3,5,7-8,10H,2,4,6,9H2,1H3.
What are the key properties of 6-(7-chloroindol-1-yl)hexan-3-one?
6-(7-chloroindol-1-yl)hexan-3-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-(7-chloroindol-1-yl)hexan-3-one is sourced from PubChem (CID 106801891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).