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

C15H21NO — CID 116554160

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
SMILESCCCC(C)CC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H21NO/c1-3-4-11(2)9-15(17)13-5-6-14-12(10-13)7-8-16-14/h5-6,10-11,16H,3-4,7-9H2,1-2H3
InChIKeyUMRCHSIOWPNFKG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.66
Rot. Bonds5

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

1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one (PubChem CID 116554160) 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)-3-methylhexan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
PubChem CID116554160
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
SMILESCCCC(C)CC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H21NO/c1-3-4-11(2)9-15(17)13-5-6-14-12(10-13)7-8-16-14/h5-6,10-11,16H,3-4,7-9H2,1-2H3
InChIKeyUMRCHSIOWPNFKG-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
CID 103869735
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 102982650
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43273795
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one (CID 116554160) is 1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one is CCCC(C)CC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one?
The InChIKey is UMRCHSIOWPNFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-11(2)9-15(17)13-5-6-14-12(10-13)7-8-16-14/h5-6,10-11,16H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one?
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.66, 5 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)-3-methylhexan-1-one is sourced from PubChem (CID 116554160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).