N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine

C4H8N2O — CID 1201479

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine
SMILESONC1=NCCC1
InChIInChI=1S/C4H8N2O/c7-6-4-2-1-3-5-4/h7H,1-3H2,(H,5,6)
InChIKeyLWHAOTMEDNFAEN-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.16
Rot. Bonds

About N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine

N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine (PubChem CID 1201479) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine
PubChem CID1201479
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine
SMILESONC1=NCCC1
InChIInChI=1S/C4H8N2O/c7-6-4-2-1-3-5-4/h7H,1-3H2,(H,5,6)
InChIKeyLWHAOTMEDNFAEN-UHFFFAOYSA-N
XLogP0.16
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine (CID 1201479) is N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine is ONC1=NCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine?
The InChIKey is LWHAOTMEDNFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-6-4-2-1-3-5-4/h7H,1-3H2,(H,5,6).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine?
N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine has a molecular weight of 100.12 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)hydroxylamine is sourced from PubChem (CID 1201479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).