3H-pyrrol-2-amine

C4H6N2 — CID 18685835

IUPAC3H-pyrrol-2-amine
SMILESNC1=NC=CC1
InChIInChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1,3H,2H2,(H2,5,6)
InChIKeyBYGGNODLDKCAPB-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.26
Rot. Bonds

About 3H-pyrrol-2-amine

3H-pyrrol-2-amine (PubChem CID 18685835) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 3H-pyrrol-2-amine.

Molecular Properties

Compound Name3H-pyrrol-2-amine
PubChem CID18685835
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name3H-pyrrol-2-amine
SMILESNC1=NC=CC1
InChIInChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1,3H,2H2,(H2,5,6)
InChIKeyBYGGNODLDKCAPB-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68878462
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CID 87174806
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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrol-2-amine?
The IUPAC name of 3H-pyrrol-2-amine (CID 18685835) is 3H-pyrrol-2-amine.
What is the SMILES notation for 3H-pyrrol-2-amine?
The canonical SMILES for 3H-pyrrol-2-amine is NC1=NC=CC1.
What is the InChIKey of 3H-pyrrol-2-amine?
The InChIKey is BYGGNODLDKCAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1,3H,2H2,(H2,5,6).
What are the key properties of 3H-pyrrol-2-amine?
3H-pyrrol-2-amine has a molecular weight of 82.11 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrol-2-amine is sourced from PubChem (CID 18685835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).