2,5-dihydro-1H-pyrrol-2-ylmethanamine

C5H10N2 — CID 22639502

IUPAC2,5-dihydro-1H-pyrrol-2-ylmethanamine
SMILESNCC1C=CCN1
InChIInChI=1S/C5H10N2/c6-4-5-2-1-3-7-5/h1-2,5,7H,3-4,6H2
InChIKeyHILZADXAUOUISZ-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.53
Rot. Bonds1

About 2,5-dihydro-1H-pyrrol-2-ylmethanamine

2,5-dihydro-1H-pyrrol-2-ylmethanamine (PubChem CID 22639502) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-ylmethanamine.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-ylmethanamine
PubChem CID22639502
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2,5-dihydro-1H-pyrrol-2-ylmethanamine
SMILESNCC1C=CCN1
InChIInChI=1S/C5H10N2/c6-4-5-2-1-3-7-5/h1-2,5,7H,3-4,6H2
InChIKeyHILZADXAUOUISZ-UHFFFAOYSA-N
XLogP-0.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-ylmethanamine?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-ylmethanamine (CID 22639502) is 2,5-dihydro-1H-pyrrol-2-ylmethanamine.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-ylmethanamine?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-ylmethanamine is NCC1C=CCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-ylmethanamine?
The InChIKey is HILZADXAUOUISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-4-5-2-1-3-7-5/h1-2,5,7H,3-4,6H2.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-ylmethanamine?
2,5-dihydro-1H-pyrrol-2-ylmethanamine has a molecular weight of 98.15 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-ylmethanamine is sourced from PubChem (CID 22639502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).