O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine

C8H12N2O — CID 82280145

IUPACO-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine
SMILESNOCC/C=C/c1cc[nH]c1
InChIInChI=1S/C8H12N2O/c9-11-6-2-1-3-8-4-5-10-7-8/h1,3-5,7,10H,2,6,9H2/b3-1+
InChIKeyFEUAPJFOUUEFOL-HNQUOIGGSA-N
MW152.20 g/mol
LogP1.31
Rot. Bonds4

About O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine

O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine (PubChem CID 82280145) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine
PubChem CID82280145
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameO-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine
SMILESNOCC/C=C/c1cc[nH]c1
InChIInChI=1S/C8H12N2O/c9-11-6-2-1-3-8-4-5-10-7-8/h1,3-5,7,10H,2,6,9H2/b3-1+
InChIKeyFEUAPJFOUUEFOL-HNQUOIGGSA-N
XLogP1.31
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine?
The IUPAC name of O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine (CID 82280145) is O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine is NOCC/C=C/c1cc[nH]c1.
What is the InChIKey of O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine?
The InChIKey is FEUAPJFOUUEFOL-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H12N2O/c9-11-6-2-1-3-8-4-5-10-7-8/h1,3-5,7,10H,2,6,9H2/b3-1+.
What are the key properties of O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine?
O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine has a molecular weight of 152.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine is sourced from PubChem (CID 82280145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).