4-methyl-1H-pyrrol-2-amine

C5H8N2 — CID 15273523

IUPAC4-methyl-1H-pyrrol-2-amine
SMILESCc1c[nH]c(N)c1
InChIInChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3
InChIKeyPNSHOHABXLMAJM-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.91
Rot. Bonds

About 4-methyl-1H-pyrrol-2-amine

4-methyl-1H-pyrrol-2-amine (PubChem CID 15273523) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-methyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-methyl-1H-pyrrol-2-amine
PubChem CID15273523
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name4-methyl-1H-pyrrol-2-amine
SMILESCc1c[nH]c(N)c1
InChIInChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3
InChIKeyPNSHOHABXLMAJM-UHFFFAOYSA-N
XLogP0.91
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrrol-2-amine?
The IUPAC name of 4-methyl-1H-pyrrol-2-amine (CID 15273523) is 4-methyl-1H-pyrrol-2-amine.
What is the SMILES notation for 4-methyl-1H-pyrrol-2-amine?
The canonical SMILES for 4-methyl-1H-pyrrol-2-amine is Cc1c[nH]c(N)c1.
What is the InChIKey of 4-methyl-1H-pyrrol-2-amine?
The InChIKey is PNSHOHABXLMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3.
What are the key properties of 4-methyl-1H-pyrrol-2-amine?
4-methyl-1H-pyrrol-2-amine has a molecular weight of 96.13 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrrol-2-amine is sourced from PubChem (CID 15273523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).