2H-pyrrol-3-amine

C4H6N2 — CID 22323272

IUPAC2H-pyrrol-3-amine
SMILESNC1=CC=NC1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2H,3,5H2
InChIKeyJTHFGZRPNBAOOW-UHFFFAOYSA-N
MW82.11 g/mol
LogP-0.09
Rot. Bonds

About 2H-pyrrol-3-amine

2H-pyrrol-3-amine (PubChem CID 22323272) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 2H-pyrrol-3-amine.

Molecular Properties

Compound Name2H-pyrrol-3-amine
PubChem CID22323272
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name2H-pyrrol-3-amine
SMILESNC1=CC=NC1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2H,3,5H2
InChIKeyJTHFGZRPNBAOOW-UHFFFAOYSA-N
XLogP-0.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrol-3-amine?
The IUPAC name of 2H-pyrrol-3-amine (CID 22323272) is 2H-pyrrol-3-amine.
What is the SMILES notation for 2H-pyrrol-3-amine?
The canonical SMILES for 2H-pyrrol-3-amine is NC1=CC=NC1.
What is the InChIKey of 2H-pyrrol-3-amine?
The InChIKey is JTHFGZRPNBAOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2H,3,5H2.
What are the key properties of 2H-pyrrol-3-amine?
2H-pyrrol-3-amine has a molecular weight of 82.11 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrol-3-amine is sourced from PubChem (CID 22323272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).