1-(2-methylbenzoyl)indole-3-carbaldehyde

C17H13NO2 — CID 82122132

IUPAC1-(2-methylbenzoyl)indole-3-carbaldehyde
SMILESCc1ccccc1C(=O)n1cc(C=O)c2ccccc21
InChIInChI=1S/C17H13NO2/c1-12-6-2-3-7-14(12)17(20)18-10-13(11-19)15-8-4-5-9-16(15)18/h2-11H,1H3
InChIKeyDIBSKTTWQVFPPC-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.45
Rot. Bonds2

About 1-(2-methylbenzoyl)indole-3-carbaldehyde

1-(2-methylbenzoyl)indole-3-carbaldehyde (PubChem CID 82122132) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylbenzoyl)indole-3-carbaldehyde
PubChem CID82122132
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-(2-methylbenzoyl)indole-3-carbaldehyde
SMILESCc1ccccc1C(=O)n1cc(C=O)c2ccccc21
InChIInChI=1S/C17H13NO2/c1-12-6-2-3-7-14(12)17(20)18-10-13(11-19)15-8-4-5-9-16(15)18/h2-11H,1H3
InChIKeyDIBSKTTWQVFPPC-UHFFFAOYSA-N
XLogP3.45
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-methylindol-1-yl)-(2-methylphenyl)methanone
CID 101389123
1-(3-methylbutanoyl)indole-3-carbaldehyde
CID 82115500
tert-butyl 3-formylindole-1-carboxylate
CID 2764519
1-(3,4-dichlorobenzoyl)indole-3-carbaldehyde
CID 91690489
(2-iodophenyl)-(3-methylindol-1-yl)methanone
CID 72942182
(3-formylindol-1-yl) 2-acetyloxy-3-methylbenzoate
CID 175399394
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]indole-3-carbaldehyde
CID 99966920
N-butyl-3-formylindole-1-carboxamide
CID 165356869
1-[2-(3-methylphenoxy)acetyl]indole-3-carbaldehyde
CID 94302397
1-benzoyl-5-fluoroindole-3-carbaldehyde
CID 155678237
methyl 1-benzoyl-3-formylindole-5-carboxylate
CID 141446667

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)indole-3-carbaldehyde?
The IUPAC name of 1-(2-methylbenzoyl)indole-3-carbaldehyde (CID 82122132) is 1-(2-methylbenzoyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(2-methylbenzoyl)indole-3-carbaldehyde?
The canonical SMILES for 1-(2-methylbenzoyl)indole-3-carbaldehyde is Cc1ccccc1C(=O)n1cc(C=O)c2ccccc21.
What is the InChIKey of 1-(2-methylbenzoyl)indole-3-carbaldehyde?
The InChIKey is DIBSKTTWQVFPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-6-2-3-7-14(12)17(20)18-10-13(11-19)15-8-4-5-9-16(15)18/h2-11H,1H3.
What are the key properties of 1-(2-methylbenzoyl)indole-3-carbaldehyde?
1-(2-methylbenzoyl)indole-3-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)indole-3-carbaldehyde is sourced from PubChem (CID 82122132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).