1H-pyrrol-2-ylmethylhydrazine

C5H9N3 — CID 53275207

IUPAC1H-pyrrol-2-ylmethylhydrazine
SMILESNNCc1ccc[nH]1
InChIInChI=1S/C5H9N3/c6-8-4-5-2-1-3-7-5/h1-3,7-8H,4,6H2
InChIKeyONNRLEKKJVPDHD-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.02
Rot. Bonds2

About 1H-pyrrol-2-ylmethylhydrazine

1H-pyrrol-2-ylmethylhydrazine (PubChem CID 53275207) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1H-pyrrol-2-ylmethylhydrazine.

Molecular Properties

Compound Name1H-pyrrol-2-ylmethylhydrazine
PubChem CID53275207
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1H-pyrrol-2-ylmethylhydrazine
SMILESNNCc1ccc[nH]1
InChIInChI=1S/C5H9N3/c6-8-4-5-2-1-3-7-5/h1-3,7-8H,4,6H2
InChIKeyONNRLEKKJVPDHD-UHFFFAOYSA-N
XLogP-0.02
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1H-pyrrol-2-ylmethylhydrazine 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 1H-pyrrol-2-ylmethylhydrazine?
The IUPAC name of 1H-pyrrol-2-ylmethylhydrazine (CID 53275207) is 1H-pyrrol-2-ylmethylhydrazine.
What is the SMILES notation for 1H-pyrrol-2-ylmethylhydrazine?
The canonical SMILES for 1H-pyrrol-2-ylmethylhydrazine is NNCc1ccc[nH]1.
What is the InChIKey of 1H-pyrrol-2-ylmethylhydrazine?
The InChIKey is ONNRLEKKJVPDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-8-4-5-2-1-3-7-5/h1-3,7-8H,4,6H2.
What are the key properties of 1H-pyrrol-2-ylmethylhydrazine?
1H-pyrrol-2-ylmethylhydrazine has a molecular weight of 111.15 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-ylmethylhydrazine is sourced from PubChem (CID 53275207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).