4-methyl-3H-pyrrol-5-amine

C5H8N2 — CID 59681816

IUPAC4-methyl-3H-pyrrol-5-amine
SMILESCC1=C(N)N=CC1
InChIInChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h3H,2,6H2,1H3
InChIKeyLTMNMJYTLANFFK-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.65
Rot. Bonds

About 4-methyl-3H-pyrrol-5-amine

4-methyl-3H-pyrrol-5-amine (PubChem CID 59681816) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-methyl-3H-pyrrol-5-amine.

Molecular Properties

Compound Name4-methyl-3H-pyrrol-5-amine
PubChem CID59681816
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name4-methyl-3H-pyrrol-5-amine
SMILESCC1=C(N)N=CC1
InChIInChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h3H,2,6H2,1H3
InChIKeyLTMNMJYTLANFFK-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-pyrrol-5-amine?
The IUPAC name of 4-methyl-3H-pyrrol-5-amine (CID 59681816) is 4-methyl-3H-pyrrol-5-amine.
What is the SMILES notation for 4-methyl-3H-pyrrol-5-amine?
The canonical SMILES for 4-methyl-3H-pyrrol-5-amine is CC1=C(N)N=CC1.
What is the InChIKey of 4-methyl-3H-pyrrol-5-amine?
The InChIKey is LTMNMJYTLANFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h3H,2,6H2,1H3.
What are the key properties of 4-methyl-3H-pyrrol-5-amine?
4-methyl-3H-pyrrol-5-amine has a molecular weight of 96.13 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-pyrrol-5-amine is sourced from PubChem (CID 59681816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).