2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde

C8H10N2O — CID 173359561

IUPAC2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde
SMILESNC=CCC1(C=O)C=CC=N1
InChIInChI=1S/C8H10N2O/c9-5-1-3-8(7-11)4-2-6-10-8/h1-2,4-7H,3,9H2
InChIKeySAGYAPPKIGHWIX-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.43
Rot. Bonds3

About 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde

2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde (PubChem CID 173359561) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde
PubChem CID173359561
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde
SMILESNC=CCC1(C=O)C=CC=N1
InChIInChI=1S/C8H10N2O/c9-5-1-3-8(7-11)4-2-6-10-8/h1-2,4-7H,3,9H2
InChIKeySAGYAPPKIGHWIX-UHFFFAOYSA-N
XLogP0.43
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde?
The IUPAC name of 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde (CID 173359561) is 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde is NC=CCC1(C=O)C=CC=N1.
What is the InChIKey of 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde?
The InChIKey is SAGYAPPKIGHWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-5-1-3-8(7-11)4-2-6-10-8/h1-2,4-7H,3,9H2.
What are the key properties of 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde?
2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-2-enyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 173359561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).