2,3-dihydro-1H-pyrrol-4-amine

C4H8N2 — CID 19101435

IUPAC2,3-dihydro-1H-pyrrol-4-amine
SMILESNC1=CNCC1
InChIInChI=1S/C4H8N2/c5-4-1-2-6-3-4/h3,6H,1-2,5H2
InChIKeyLBJBYFLBBOYPJQ-UHFFFAOYSA-N
MW84.12 g/mol
LogP-0.22
Rot. Bonds

About 2,3-dihydro-1H-pyrrol-4-amine

2,3-dihydro-1H-pyrrol-4-amine (PubChem CID 19101435) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrol-4-amine.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrol-4-amine
PubChem CID19101435
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name2,3-dihydro-1H-pyrrol-4-amine
SMILESNC1=CNCC1
InChIInChI=1S/C4H8N2/c5-4-1-2-6-3-4/h3,6H,1-2,5H2
InChIKeyLBJBYFLBBOYPJQ-UHFFFAOYSA-N
XLogP-0.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrol-4-amine?
The IUPAC name of 2,3-dihydro-1H-pyrrol-4-amine (CID 19101435) is 2,3-dihydro-1H-pyrrol-4-amine.
What is the SMILES notation for 2,3-dihydro-1H-pyrrol-4-amine?
The canonical SMILES for 2,3-dihydro-1H-pyrrol-4-amine is NC1=CNCC1.
What is the InChIKey of 2,3-dihydro-1H-pyrrol-4-amine?
The InChIKey is LBJBYFLBBOYPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c5-4-1-2-6-3-4/h3,6H,1-2,5H2.
What are the key properties of 2,3-dihydro-1H-pyrrol-4-amine?
2,3-dihydro-1H-pyrrol-4-amine has a molecular weight of 84.12 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrol-4-amine is sourced from PubChem (CID 19101435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).