1H-pyrrol-3-amine

C4H6N2 — CID 10129890

IUPAC1H-pyrrol-3-amine
SMILESNc1cc[nH]c1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2
InChIKeyWAUGGYPDCQZJKK-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.60
Rot. Bonds

About 1H-pyrrol-3-amine

1H-pyrrol-3-amine (PubChem CID 10129890) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 1H-pyrrol-3-amine.

Molecular Properties

Compound Name1H-pyrrol-3-amine
PubChem CID10129890
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name1H-pyrrol-3-amine
SMILESNc1cc[nH]c1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2
InChIKeyWAUGGYPDCQZJKK-UHFFFAOYSA-N
XLogP0.60
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-amine?
The IUPAC name of 1H-pyrrol-3-amine (CID 10129890) is 1H-pyrrol-3-amine.
What is the SMILES notation for 1H-pyrrol-3-amine?
The canonical SMILES for 1H-pyrrol-3-amine is Nc1cc[nH]c1.
What is the InChIKey of 1H-pyrrol-3-amine?
The InChIKey is WAUGGYPDCQZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2.
What are the key properties of 1H-pyrrol-3-amine?
1H-pyrrol-3-amine has a molecular weight of 82.11 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-amine is sourced from PubChem (CID 10129890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).