2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide

C9H12N4O2 — CID 103229889

IUPAC2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)n1cccc1C#N
InChIInChI=1S/C9H12N4O2/c1-15-6-8(9(14)12-11)13-4-2-3-7(13)5-10/h2-4,8H,6,11H2,1H3,(H,12,14)
InChIKeyXEZSISYXAQMYGW-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.46
Rot. Bonds4

About 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide

2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide (PubChem CID 103229889) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide
PubChem CID103229889
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)n1cccc1C#N
InChIInChI=1S/C9H12N4O2/c1-15-6-8(9(14)12-11)13-4-2-3-7(13)5-10/h2-4,8H,6,11H2,1H3,(H,12,14)
InChIKeyXEZSISYXAQMYGW-UHFFFAOYSA-N
XLogP-0.46
TPSA93.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide 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-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide?
The IUPAC name of 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide (CID 103229889) is 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide is COCC(C(=O)NN)n1cccc1C#N.
What is the InChIKey of 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide?
The InChIKey is XEZSISYXAQMYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-6-8(9(14)12-11)13-4-2-3-7(13)5-10/h2-4,8H,6,11H2,1H3,(H,12,14).
What are the key properties of 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide?
2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide has a molecular weight of 208.22 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).