5-methyl-2H-pyrrol-4-amine

C5H8N2 — CID 150836723

IUPAC5-methyl-2H-pyrrol-4-amine
SMILESCC1=NCC=C1N
InChIInChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2H,3,6H2,1H3
InChIKeyKNDBCOOSANKRAF-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.30
Rot. Bonds

About 5-methyl-2H-pyrrol-4-amine

5-methyl-2H-pyrrol-4-amine (PubChem CID 150836723) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 5-methyl-2H-pyrrol-4-amine.

Molecular Properties

Compound Name5-methyl-2H-pyrrol-4-amine
PubChem CID150836723
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name5-methyl-2H-pyrrol-4-amine
SMILESCC1=NCC=C1N
InChIInChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2H,3,6H2,1H3
InChIKeyKNDBCOOSANKRAF-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyrrol-4-amine?
The IUPAC name of 5-methyl-2H-pyrrol-4-amine (CID 150836723) is 5-methyl-2H-pyrrol-4-amine.
What is the SMILES notation for 5-methyl-2H-pyrrol-4-amine?
The canonical SMILES for 5-methyl-2H-pyrrol-4-amine is CC1=NCC=C1N.
What is the InChIKey of 5-methyl-2H-pyrrol-4-amine?
The InChIKey is KNDBCOOSANKRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2H,3,6H2,1H3.
What are the key properties of 5-methyl-2H-pyrrol-4-amine?
5-methyl-2H-pyrrol-4-amine has a molecular weight of 96.13 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyrrol-4-amine is sourced from PubChem (CID 150836723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).