1-naphthalen-2-ylpyrrole-2-carbaldehyde

C15H11NO — CID 954804

IUPAC1-naphthalen-2-ylpyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc2ccccc2c1
InChIInChI=1S/C15H11NO/c17-11-15-6-3-9-16(15)14-8-7-12-4-1-2-5-13(12)10-14/h1-11H
InChIKeyJXZGHRSZIIBRJQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.44
Rot. Bonds2

About 1-naphthalen-2-ylpyrrole-2-carbaldehyde

1-naphthalen-2-ylpyrrole-2-carbaldehyde (PubChem CID 954804) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-naphthalen-2-ylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-naphthalen-2-ylpyrrole-2-carbaldehyde
PubChem CID954804
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name1-naphthalen-2-ylpyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc2ccccc2c1
InChIInChI=1S/C15H11NO/c17-11-15-6-3-9-16(15)14-8-7-12-4-1-2-5-13(12)10-14/h1-11H
InChIKeyJXZGHRSZIIBRJQ-UHFFFAOYSA-N
XLogP3.44
TPSA22.00 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 ≤ 53.44
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 1-naphthalen-2-ylpyrrole-2-carbaldehyde?
The IUPAC name of 1-naphthalen-2-ylpyrrole-2-carbaldehyde (CID 954804) is 1-naphthalen-2-ylpyrrole-2-carbaldehyde.
What is the SMILES notation for 1-naphthalen-2-ylpyrrole-2-carbaldehyde?
The canonical SMILES for 1-naphthalen-2-ylpyrrole-2-carbaldehyde is O=Cc1cccn1-c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylpyrrole-2-carbaldehyde?
The InChIKey is JXZGHRSZIIBRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-11-15-6-3-9-16(15)14-8-7-12-4-1-2-5-13(12)10-14/h1-11H.
What are the key properties of 1-naphthalen-2-ylpyrrole-2-carbaldehyde?
1-naphthalen-2-ylpyrrole-2-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylpyrrole-2-carbaldehyde is sourced from PubChem (CID 954804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).