2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde

C15H12N2O3 — CID 43089612

IUPAC2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
SMILESO=Cc1cc([N+](=O)[O-])ccc1N1CCc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-10-12-9-13(17(19)20)5-6-15(12)16-8-7-11-3-1-2-4-14(11)16/h1-6,9-10H,7-8H2
InChIKeyIYTSMCZIMDWPFY-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.10
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde

2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde (PubChem CID 43089612) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
PubChem CID43089612
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
SMILESO=Cc1cc([N+](=O)[O-])ccc1N1CCc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-10-12-9-13(17(19)20)5-6-15(12)16-8-7-11-3-1-2-4-14(11)16/h1-6,9-10H,7-8H2
InChIKeyIYTSMCZIMDWPFY-UHFFFAOYSA-N
XLogP3.10
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
CID 28964405
4-(2,3-dihydroindol-1-yl)-3-nitroaniline
CID 82299179
2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde
CID 89323258
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
4-(2,3-dihydroindol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 4877058
1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 82120294
5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 4903897
2-(2-formylphenyl)-5-nitrobenzaldehyde
CID 102487108
methyl 4-(2,3-dihydroindol-1-yl)-3-nitrobenzoate
CID 23961339
2-(2-bromophenoxy)-5-nitrobenzaldehyde
CID 28888057
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde (CID 43089612) is 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde is O=Cc1cc([N+](=O)[O-])ccc1N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde?
The InChIKey is IYTSMCZIMDWPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-10-12-9-13(17(19)20)5-6-15(12)16-8-7-11-3-1-2-4-14(11)16/h1-6,9-10H,7-8H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde?
2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde has a molecular weight of 268.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde is sourced from PubChem (CID 43089612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).