2-phenyl-3H-indole-3-carbaldehyde

C15H11NO — CID 87788250

IUPAC2-phenyl-3H-indole-3-carbaldehyde
SMILESO=CC1C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,13H
InChIKeyKDPBWSXHHYQIDL-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.10
Rot. Bonds2

About 2-phenyl-3H-indole-3-carbaldehyde

2-phenyl-3H-indole-3-carbaldehyde (PubChem CID 87788250) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenyl-3H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-3H-indole-3-carbaldehyde
PubChem CID87788250
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-phenyl-3H-indole-3-carbaldehyde
SMILESO=CC1C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,13H
InChIKeyKDPBWSXHHYQIDL-UHFFFAOYSA-N
XLogP3.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-indole-3-carbaldehyde?
The IUPAC name of 2-phenyl-3H-indole-3-carbaldehyde (CID 87788250) is 2-phenyl-3H-indole-3-carbaldehyde.
What is the SMILES notation for 2-phenyl-3H-indole-3-carbaldehyde?
The canonical SMILES for 2-phenyl-3H-indole-3-carbaldehyde is O=CC1C(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 2-phenyl-3H-indole-3-carbaldehyde?
The InChIKey is KDPBWSXHHYQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h1-10,13H.
What are the key properties of 2-phenyl-3H-indole-3-carbaldehyde?
2-phenyl-3H-indole-3-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-indole-3-carbaldehyde is sourced from PubChem (CID 87788250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).