1-benzyl-5,6-dihydro-4H-indol-2-one

C15H15NO — CID 12827997

IUPAC1-benzyl-5,6-dihydro-4H-indol-2-one
SMILESO=C1C=C2CCCC=C2N1Cc1ccccc1
InChIInChI=1S/C15H15NO/c17-15-10-13-8-4-5-9-14(13)16(15)11-12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8,11H2
InChIKeyZZBAMXWKYHAFPU-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.02
Rot. Bonds2

About 1-benzyl-5,6-dihydro-4H-indol-2-one

1-benzyl-5,6-dihydro-4H-indol-2-one (PubChem CID 12827997) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-benzyl-5,6-dihydro-4H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-5,6-dihydro-4H-indol-2-one
PubChem CID12827997
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-benzyl-5,6-dihydro-4H-indol-2-one
SMILESO=C1C=C2CCCC=C2N1Cc1ccccc1
InChIInChI=1S/C15H15NO/c17-15-10-13-8-4-5-9-14(13)16(15)11-12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8,11H2
InChIKeyZZBAMXWKYHAFPU-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3,4,5,6-tetrahydroindol-3-id-2-one;yttrium
CID 134861512
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CID 87839259
1-benzyl-3-hydroxypyrrole-2,5-dione
CID 54733254
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
CID 67129694
1-benzyl-3a,4,5,6-tetrahydro-3H-indol-2-one
CID 101011674
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
2-benzyl-3-methylidene-4,5,6,7-tetrahydroisoindol-1-one
CID 11064491
(3aS,7aS)-2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 701534
(3aR,7aR)-2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 701536
1-benzyl-3-methylidenepiperidine-2,6-dione
CID 14335282
(4R,4aS)-1-benzyl-4,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 101093631
(3aS,7aR)-2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 795274

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,6-dihydro-4H-indol-2-one?
The IUPAC name of 1-benzyl-5,6-dihydro-4H-indol-2-one (CID 12827997) is 1-benzyl-5,6-dihydro-4H-indol-2-one.
What is the SMILES notation for 1-benzyl-5,6-dihydro-4H-indol-2-one?
The canonical SMILES for 1-benzyl-5,6-dihydro-4H-indol-2-one is O=C1C=C2CCCC=C2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5,6-dihydro-4H-indol-2-one?
The InChIKey is ZZBAMXWKYHAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-15-10-13-8-4-5-9-14(13)16(15)11-12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8,11H2.
What are the key properties of 1-benzyl-5,6-dihydro-4H-indol-2-one?
1-benzyl-5,6-dihydro-4H-indol-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dihydro-4H-indol-2-one is sourced from PubChem (CID 12827997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).