3,4-dihydro-2H-pyrrol-5-amine

C4H8N2 — CID 12778904

IUPAC3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NCCC1
InChIInChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
InChIKeyNJBMZYSKLWQXLJ-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.14
Rot. Bonds

About 3,4-dihydro-2H-pyrrol-5-amine

3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 12778904) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrol-5-amine
PubChem CID12778904
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NCCC1
InChIInChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
InChIKeyNJBMZYSKLWQXLJ-UHFFFAOYSA-N
XLogP0.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3,4-dihydro-2H-pyrrol-5-amine (CID 12778904) is 3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3,4-dihydro-2H-pyrrol-5-amine is NC1=NCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is NJBMZYSKLWQXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6).
What are the key properties of 3,4-dihydro-2H-pyrrol-5-amine?
3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 84.12 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 12778904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).