1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone

C17H17NO2 — CID 58460267

IUPAC1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
SMILESO=C(CO)c1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-17(20)15-6-7-16-14(10-15)8-9-18(16)11-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2
InChIKeyALJPDCMNQQWNTF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.42
Rot. Bonds4

About 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone

1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone (PubChem CID 58460267) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
PubChem CID58460267
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
SMILESO=C(CO)c1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-17(20)15-6-7-16-14(10-15)8-9-18(16)11-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2
InChIKeyALJPDCMNQQWNTF-UHFFFAOYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl 1-benzyl-2,3-dihydroindole-5-carboxylate
CID 156703137
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone
CID 158369593
4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
CID 90075277
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471
(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate
CID 46865060
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
(2R)-1-(1-benzyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 125041450
1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662248

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone?
The IUPAC name of 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone (CID 58460267) is 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone is O=C(CO)c1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone?
The InChIKey is ALJPDCMNQQWNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-12-17(20)15-6-7-16-14(10-15)8-9-18(16)11-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2.
What are the key properties of 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone?
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone has a molecular weight of 267.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone is sourced from PubChem (CID 58460267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).