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

C13H14ClNO — CID 62023769

IUPAC5-(6-chloroindol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C13H14ClNO/c1-10(16)3-2-7-15-8-6-11-4-5-12(14)9-13(11)15/h4-6,8-9H,2-3,7H2,1H3
InChIKeyDMFCIWYKCAZBKV-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.66
Rot. Bonds4

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

5-(6-chloroindol-1-yl)pentan-2-one (PubChem CID 62023769) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 5-(6-chloroindol-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(6-chloroindol-1-yl)pentan-2-one
PubChem CID62023769
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name5-(6-chloroindol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C13H14ClNO/c1-10(16)3-2-7-15-8-6-11-4-5-12(14)9-13(11)15/h4-6,8-9H,2-3,7H2,1H3
InChIKeyDMFCIWYKCAZBKV-UHFFFAOYSA-N
XLogP3.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
5-(6-chloroindol-1-yl)pentanamide
CID 114281787
1-butyl-6-chloroindole
CID 67583801
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
1-(4-bromobutyl)-6-chloroindole
CID 135074562
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
1-[(E)-but-2-enyl]-6-chloroindole
CID 116620573
(2S)-1-(6-chloroindol-1-yl)propan-2-ol
CID 70160052
6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 116620454
2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62025600

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloroindol-1-yl)pentan-2-one?
The IUPAC name of 5-(6-chloroindol-1-yl)pentan-2-one (CID 62023769) is 5-(6-chloroindol-1-yl)pentan-2-one.
What is the SMILES notation for 5-(6-chloroindol-1-yl)pentan-2-one?
The canonical SMILES for 5-(6-chloroindol-1-yl)pentan-2-one is CC(=O)CCCn1ccc2ccc(Cl)cc21.
What is the InChIKey of 5-(6-chloroindol-1-yl)pentan-2-one?
The InChIKey is DMFCIWYKCAZBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-10(16)3-2-7-15-8-6-11-4-5-12(14)9-13(11)15/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 5-(6-chloroindol-1-yl)pentan-2-one?
5-(6-chloroindol-1-yl)pentan-2-one has a molecular weight of 235.71 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloroindol-1-yl)pentan-2-one is sourced from PubChem (CID 62023769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).