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

C5H8N2 — CID 67580042

IUPAC2-methyl-3H-pyrrol-3-amine
SMILESCC1=NC=CC1N
InChIInChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2-3,5H,6H2,1H3
InChIKeyYUZQBYKPIMZVDH-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.30
Rot. Bonds

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

2-methyl-3H-pyrrol-3-amine (PubChem CID 67580042) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methyl-3H-pyrrol-3-amine.

Molecular Properties

Compound Name2-methyl-3H-pyrrol-3-amine
PubChem CID67580042
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-methyl-3H-pyrrol-3-amine
SMILESCC1=NC=CC1N
InChIInChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2-3,5H,6H2,1H3
InChIKeyYUZQBYKPIMZVDH-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 2-methyl-3H-pyrrol-3-amine?
The IUPAC name of 2-methyl-3H-pyrrol-3-amine (CID 67580042) is 2-methyl-3H-pyrrol-3-amine.
What is the SMILES notation for 2-methyl-3H-pyrrol-3-amine?
The canonical SMILES for 2-methyl-3H-pyrrol-3-amine is CC1=NC=CC1N.
What is the InChIKey of 2-methyl-3H-pyrrol-3-amine?
The InChIKey is YUZQBYKPIMZVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2-3,5H,6H2,1H3.
What are the key properties of 2-methyl-3H-pyrrol-3-amine?
2-methyl-3H-pyrrol-3-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 2-methyl-3H-pyrrol-3-amine is sourced from PubChem (CID 67580042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).