1-indol-1-ylheptan-4-one

C15H19NO — CID 142802450

IUPAC1-indol-1-ylheptan-4-one
SMILESCCCC(=O)CCCn1ccc2ccccc21
InChIInChI=1S/C15H19NO/c1-2-6-14(17)8-5-11-16-12-10-13-7-3-4-9-15(13)16/h3-4,7,9-10,12H,2,5-6,8,11H2,1H3
InChIKeySRXZXPBLVAKWKY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.79
Rot. Bonds6

About 1-indol-1-ylheptan-4-one

1-indol-1-ylheptan-4-one (PubChem CID 142802450) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-indol-1-ylheptan-4-one.

Molecular Properties

Compound Name1-indol-1-ylheptan-4-one
PubChem CID142802450
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-indol-1-ylheptan-4-one
SMILESCCCC(=O)CCCn1ccc2ccccc21
InChIInChI=1S/C15H19NO/c1-2-6-14(17)8-5-11-16-12-10-13-7-3-4-9-15(13)16/h3-4,7,9-10,12H,2,5-6,8,11H2,1H3
InChIKeySRXZXPBLVAKWKY-UHFFFAOYSA-N
XLogP3.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;1-butylindole
CID 162326365
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-ethylsulfonylpropyl)indole
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3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-iodopropyl)indole
CID 11323600
1-(3-fluoropropyl)indole
CID 81113690
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(3-indol-1-ylpropyl)pentan-2-amine
CID 43101059
1-(2-fluoroethyl)indole
CID 80694500
2-[3-indol-1-ylpropanoyl(propyl)amino]acetic acid
CID 119205084
4-indol-1-yl-2,2-dimethylbutanoic acid
CID 65248466
6-(7-chloroindol-1-yl)hexan-3-one
CID 106801891

Frequently Asked Questions

What is the IUPAC name of 1-indol-1-ylheptan-4-one?
The IUPAC name of 1-indol-1-ylheptan-4-one (CID 142802450) is 1-indol-1-ylheptan-4-one.
What is the SMILES notation for 1-indol-1-ylheptan-4-one?
The canonical SMILES for 1-indol-1-ylheptan-4-one is CCCC(=O)CCCn1ccc2ccccc21.
What is the InChIKey of 1-indol-1-ylheptan-4-one?
The InChIKey is SRXZXPBLVAKWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-6-14(17)8-5-11-16-12-10-13-7-3-4-9-15(13)16/h3-4,7,9-10,12H,2,5-6,8,11H2,1H3.
What are the key properties of 1-indol-1-ylheptan-4-one?
1-indol-1-ylheptan-4-one has a molecular weight of 229.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-ylheptan-4-one is sourced from PubChem (CID 142802450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).