3-methyl-2H-pyrrol-5-amine

C5H8N2 — CID 58190614

IUPAC3-methyl-2H-pyrrol-5-amine
SMILESCC1=CC(N)=NC1
InChIInChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3,(H2,6,7)
InChIKeyBUFCWHZFZLXULX-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.30
Rot. Bonds

About 3-methyl-2H-pyrrol-5-amine

3-methyl-2H-pyrrol-5-amine (PubChem CID 58190614) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-methyl-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-methyl-2H-pyrrol-5-amine
PubChem CID58190614
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3-methyl-2H-pyrrol-5-amine
SMILESCC1=CC(N)=NC1
InChIInChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3,(H2,6,7)
InChIKeyBUFCWHZFZLXULX-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 3-methyl-2H-pyrrol-5-amine?
The IUPAC name of 3-methyl-2H-pyrrol-5-amine (CID 58190614) is 3-methyl-2H-pyrrol-5-amine.
What is the SMILES notation for 3-methyl-2H-pyrrol-5-amine?
The canonical SMILES for 3-methyl-2H-pyrrol-5-amine is CC1=CC(N)=NC1.
What is the InChIKey of 3-methyl-2H-pyrrol-5-amine?
The InChIKey is BUFCWHZFZLXULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3,(H2,6,7).
What are the key properties of 3-methyl-2H-pyrrol-5-amine?
3-methyl-2H-pyrrol-5-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 3-methyl-2H-pyrrol-5-amine is sourced from PubChem (CID 58190614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).