1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one

C18H19NO — CID 116596816

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)C1Cc2ccccc2N1
InChIInChI=1S/C18H19NO/c20-18(12-6-9-14-7-2-1-3-8-14)17-13-15-10-4-5-11-16(15)19-17/h1-5,7-8,10-11,17,19H,6,9,12-13H2
InChIKeyZQTRXUQLSQEOTJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.62
Rot. Bonds5

About 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one

1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one (PubChem CID 116596816) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one
PubChem CID116596816
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)C1Cc2ccccc2N1
InChIInChI=1S/C18H19NO/c20-18(12-6-9-14-7-2-1-3-8-14)17-13-15-10-4-5-11-16(15)19-17/h1-5,7-8,10-11,17,19H,6,9,12-13H2
InChIKeyZQTRXUQLSQEOTJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-indol-2-yl)-4-methylsulfonylbutan-1-one
CID 116596820
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
1-(2,3-dihydro-1H-indol-2-yl)-4,4,4-trifluorobutan-1-one
CID 116596983
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
1-(2,3-dihydro-1H-indol-2-yl)-2-propan-2-yloxyethanone
CID 116596831
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163081
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
CID 61302855

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one (CID 116596816) is 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)C1Cc2ccccc2N1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one?
The InChIKey is ZQTRXUQLSQEOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(12-6-9-14-7-2-1-3-8-14)17-13-15-10-4-5-11-16(15)19-17/h1-5,7-8,10-11,17,19H,6,9,12-13H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one?
1-(2,3-dihydro-1H-indol-2-yl)-4-phenylbutan-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.62, 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-2-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 116596816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).