2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde

C15H14N2O — CID 89323258

IUPAC2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde
SMILESNc1cc(N2CCc3ccccc32)ccc1C=O
InChIInChI=1S/C15H14N2O/c16-14-9-13(6-5-12(14)10-18)17-8-7-11-3-1-2-4-15(11)17/h1-6,9-10H,7-8,16H2
InChIKeyZWLRKIBYCYVREJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.78
Rot. Bonds2

About 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde

2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde (PubChem CID 89323258) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde
PubChem CID89323258
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde
SMILESNc1cc(N2CCc3ccccc32)ccc1C=O
InChIInChI=1S/C15H14N2O/c16-14-9-13(6-5-12(14)10-18)17-8-7-11-3-1-2-4-15(11)17/h1-6,9-10H,7-8,16H2
InChIKeyZWLRKIBYCYVREJ-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde?
The IUPAC name of 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde (CID 89323258) is 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde.
What is the SMILES notation for 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde?
The canonical SMILES for 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde is Nc1cc(N2CCc3ccccc32)ccc1C=O.
What is the InChIKey of 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde?
The InChIKey is ZWLRKIBYCYVREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-14-9-13(6-5-12(14)10-18)17-8-7-11-3-1-2-4-15(11)17/h1-6,9-10H,7-8,16H2.
What are the key properties of 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde?
2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde has a molecular weight of 238.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde is sourced from PubChem (CID 89323258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).