4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine

C9H11N3 — CID 79688892

IUPAC4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
SMILESNc1cnccc1N1CC=CC1
InChIInChI=1S/C9H11N3/c10-8-7-11-4-3-9(8)12-5-1-2-6-12/h1-4,7H,5-6,10H2
InChIKeyCMDUSCFSFGGFFI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.04
Rot. Bonds1

About 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine

4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine (PubChem CID 79688892) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
PubChem CID79688892
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
SMILESNc1cnccc1N1CC=CC1
InChIInChI=1S/C9H11N3/c10-8-7-11-4-3-9(8)12-5-1-2-6-12/h1-4,7H,5-6,10H2
InChIKeyCMDUSCFSFGGFFI-UHFFFAOYSA-N
XLogP1.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine (CID 79688892) is 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine is Nc1cnccc1N1CC=CC1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine?
The InChIKey is CMDUSCFSFGGFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-8-7-11-4-3-9(8)12-5-1-2-6-12/h1-4,7H,5-6,10H2.
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine?
4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine has a molecular weight of 161.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine is sourced from PubChem (CID 79688892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).