3-methylpyrrol-1-amine

C5H8N2 — CID 119082985

IUPAC3-methylpyrrol-1-amine
SMILESCc1ccn(N)c1
InChIInChI=1S/C5H8N2/c1-5-2-3-7(6)4-5/h2-4H,6H2,1H3
InChIKeyIFEXEVPFINMYJV-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.51
Rot. Bonds

About 3-methylpyrrol-1-amine

3-methylpyrrol-1-amine (PubChem CID 119082985) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-methylpyrrol-1-amine.

Molecular Properties

Compound Name3-methylpyrrol-1-amine
PubChem CID119082985
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3-methylpyrrol-1-amine
SMILESCc1ccn(N)c1
InChIInChI=1S/C5H8N2/c1-5-2-3-7(6)4-5/h2-4H,6H2,1H3
InChIKeyIFEXEVPFINMYJV-UHFFFAOYSA-N
XLogP0.51
TPSA30.95 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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpyrrole
CID 7304
1H-Pyrrole, 3-methyl-
CID 12023
1-Ethylpyrrole
CID 185226
1-Aminopyrrole
CID 136589
1-(prop-2-en-1-yl)-1H-pyrrole
CID 527525
1-Butylpyrrole
CID 68529
1-(Dimethylamino)pyrrole
CID 573527
1-(3-Methylbutyl)pyrrole
CID 19863974
N-Isobutylpyrrole
CID 23279512
1,3-dimethyl-1H-pyrrole
CID 10964417
1H-pyrrol-3-ylmethanamine
CID 23295846
1-(2-Methylbutyl)-1H-pyrrole
CID 19863975

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrol-1-amine?
The IUPAC name of 3-methylpyrrol-1-amine (CID 119082985) is 3-methylpyrrol-1-amine.
What is the SMILES notation for 3-methylpyrrol-1-amine?
The canonical SMILES for 3-methylpyrrol-1-amine is Cc1ccn(N)c1.
What is the InChIKey of 3-methylpyrrol-1-amine?
The InChIKey is IFEXEVPFINMYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-2-3-7(6)4-5/h2-4H,6H2,1H3.
What are the key properties of 3-methylpyrrol-1-amine?
3-methylpyrrol-1-amine has a molecular weight of 96.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrol-1-amine is sourced from PubChem (CID 119082985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).