2,3-dihydropyrrol-1-amine

C4H8N2 — CID 18368250

IUPAC2,3-dihydropyrrol-1-amine
SMILESNN1C=CCC1
InChIInChI=1S/C4H8N2/c5-6-3-1-2-4-6/h1,3H,2,4-5H2
InChIKeyNPLSMQWSKZXZPD-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.08
Rot. Bonds

About 2,3-dihydropyrrol-1-amine

2,3-dihydropyrrol-1-amine (PubChem CID 18368250) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 2,3-dihydropyrrol-1-amine.

Molecular Properties

Compound Name2,3-dihydropyrrol-1-amine
PubChem CID18368250
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name2,3-dihydropyrrol-1-amine
SMILESNN1C=CCC1
InChIInChI=1S/C4H8N2/c5-6-3-1-2-4-6/h1,3H,2,4-5H2
InChIKeyNPLSMQWSKZXZPD-UHFFFAOYSA-N
XLogP0.08
TPSA29.26 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 ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrol-1-amine?
The IUPAC name of 2,3-dihydropyrrol-1-amine (CID 18368250) is 2,3-dihydropyrrol-1-amine.
What is the SMILES notation for 2,3-dihydropyrrol-1-amine?
The canonical SMILES for 2,3-dihydropyrrol-1-amine is NN1C=CCC1.
What is the InChIKey of 2,3-dihydropyrrol-1-amine?
The InChIKey is NPLSMQWSKZXZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c5-6-3-1-2-4-6/h1,3H,2,4-5H2.
What are the key properties of 2,3-dihydropyrrol-1-amine?
2,3-dihydropyrrol-1-amine has a molecular weight of 84.12 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrol-1-amine is sourced from PubChem (CID 18368250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).