3-methyl-3H-pyrrol-2-amine

C5H8N2 — CID 142102588

IUPAC3-methyl-3H-pyrrol-2-amine
SMILESCC1C=CN=C1N
InChIInChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h2-4H,1H3,(H2,6,7)
InChIKeyLORZQWHWSQFJNN-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.51
Rot. Bonds

About 3-methyl-3H-pyrrol-2-amine

3-methyl-3H-pyrrol-2-amine (PubChem CID 142102588) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-methyl-3H-pyrrol-2-amine.

Molecular Properties

Compound Name3-methyl-3H-pyrrol-2-amine
PubChem CID142102588
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3-methyl-3H-pyrrol-2-amine
SMILESCC1C=CN=C1N
InChIInChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h2-4H,1H3,(H2,6,7)
InChIKeyLORZQWHWSQFJNN-UHFFFAOYSA-N
XLogP0.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3H-pyrrol-2-amine 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 3-methyl-3H-pyrrol-2-amine?
The IUPAC name of 3-methyl-3H-pyrrol-2-amine (CID 142102588) is 3-methyl-3H-pyrrol-2-amine.
What is the SMILES notation for 3-methyl-3H-pyrrol-2-amine?
The canonical SMILES for 3-methyl-3H-pyrrol-2-amine is CC1C=CN=C1N.
What is the InChIKey of 3-methyl-3H-pyrrol-2-amine?
The InChIKey is LORZQWHWSQFJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h2-4H,1H3,(H2,6,7).
What are the key properties of 3-methyl-3H-pyrrol-2-amine?
3-methyl-3H-pyrrol-2-amine has a molecular weight of 96.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-pyrrol-2-amine is sourced from PubChem (CID 142102588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).