1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one

C15H21NO — CID 116554189

IUPAC1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-15(17)13-7-8-14-12(11-13)9-10-16-14/h7-8,11,16H,2-6,9-10H2,1H3
InChIKeyORFFYNBYBJDMQL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.81
Rot. Bonds6

About 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one

1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one (PubChem CID 116554189) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
PubChem CID116554189
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-15(17)13-7-8-14-12(11-13)9-10-16-14/h7-8,11,16H,2-6,9-10H2,1H3
InChIKeyORFFYNBYBJDMQL-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
N-butyl-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142468
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 82102384
1-(2-oxo-3,4-dihydro-1H-2λ4,1,3-benzothiadiazin-6-yl)hexan-1-one
CID 142261062

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one (CID 116554189) is 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one is CCCCCCC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one?
The InChIKey is ORFFYNBYBJDMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-5-6-15(17)13-7-8-14-12(11-13)9-10-16-14/h7-8,11,16H,2-6,9-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one?
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one is sourced from PubChem (CID 116554189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).