2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone

C17H17NO — CID 116554075

IUPAC2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc3c(c2)CCN3)c(C)c1
InChIInChI=1S/C17H17NO/c1-11-3-5-15(12(2)9-11)17(19)14-4-6-16-13(10-14)7-8-18-16/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyZGSNOXQHCFLUMW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.50
Rot. Bonds2

About 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone

2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone (PubChem CID 116554075) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
PubChem CID116554075
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc3c(c2)CCN3)c(C)c1
InChIInChI=1S/C17H17NO/c1-11-3-5-15(12(2)9-11)17(19)14-4-6-16-13(10-14)7-8-18-16/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyZGSNOXQHCFLUMW-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,3-dihydro-1H-indole-5-carbaldehyde
CID 927567
Shellfish, unspecified
CID 584435
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
N-Cyclopropyl-4-Methyl-3-(2'-Oxo-1',2'-Dihydrospiro[cyclopentane-1,3'-Indol]-6'-Yl)benzamide
CID 44251218
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)benzamide
CID 44250342
4-Amino-N-(2,6-dimethylphenyl)phthalimide
CID 124031
4-[(2,4-Dimethylphenyl)amino]naphthalene-1,2-dione
CID 272555
(3Z)-5-methyl-3-(2-methylbenzylidene)-1,3-dihydro-2H-indol-2-one
CID 5876476
2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione
CID 1235479
n-(3-Methylphenyl)-2-[4-(1-oxo-2,3-dihydro-1h-isoindol-4-yl)phenyl]acetamide
CID 5329883
1-(2-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329886
6-benzyl-3-pentanoyl-1H-quinolin-4-one
CID 44560522

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone (CID 116554075) is 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc3c(c2)CCN3)c(C)c1.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone?
The InChIKey is ZGSNOXQHCFLUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-3-5-15(12(2)9-11)17(19)14-4-6-16-13(10-14)7-8-18-16/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone?
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 116554075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).