O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine

C7H12N2O — CID 70323596

IUPACO-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine
SMILESCn1ccc(CCON)c1
InChIInChI=1S/C7H12N2O/c1-9-4-2-7(6-9)3-5-10-8/h2,4,6H,3,5,8H2,1H3
InChIKeyZIKOJZJTXBTXDM-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.46
Rot. Bonds3

About O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine

O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine (PubChem CID 70323596) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine
PubChem CID70323596
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameO-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine
SMILESCn1ccc(CCON)c1
InChIInChI=1S/C7H12N2O/c1-9-4-2-7(6-9)3-5-10-8/h2,4,6H,3,5,8H2,1H3
InChIKeyZIKOJZJTXBTXDM-UHFFFAOYSA-N
XLogP0.46
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
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 O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine (CID 70323596) is O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine is Cn1ccc(CCON)c1.
What is the InChIKey of O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine?
The InChIKey is ZIKOJZJTXBTXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-4-2-7(6-9)3-5-10-8/h2,4,6H,3,5,8H2,1H3.
What are the key properties of O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine?
O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine has a molecular weight of 140.19 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(1-methylpyrrol-3-yl)ethyl]hydroxylamine is sourced from PubChem (CID 70323596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).