3-(2,3-dihydroindole-1-carbonyl)benzaldehyde

C16H13NO2 — CID 90104032

IUPAC3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
SMILESO=Cc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H13NO2/c18-11-12-4-3-6-14(10-12)16(19)17-9-8-13-5-1-2-7-15(13)17/h1-7,10-11H,8-9H2
InChIKeyZDCGBDKBLHSNER-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.70
Rot. Bonds2

About 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde

3-(2,3-dihydroindole-1-carbonyl)benzaldehyde (PubChem CID 90104032) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
PubChem CID90104032
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
SMILESO=Cc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H13NO2/c18-11-12-4-3-6-14(10-12)16(19)17-9-8-13-5-1-2-7-15(13)17/h1-7,10-11H,8-9H2
InChIKeyZDCGBDKBLHSNER-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde (CID 90104032) is 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde is O=Cc1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde?
The InChIKey is ZDCGBDKBLHSNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-11-12-4-3-6-14(10-12)16(19)17-9-8-13-5-1-2-7-15(13)17/h1-7,10-11H,8-9H2.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde?
3-(2,3-dihydroindole-1-carbonyl)benzaldehyde has a molecular weight of 251.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)benzaldehyde is sourced from PubChem (CID 90104032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).