N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine

C6H8N2O — CID 5409326

IUPACN-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine
SMILESCN(O)/C=C1\C=CC=N1
InChIInChI=1S/C6H8N2O/c1-8(9)5-6-3-2-4-7-6/h2-5,9H,1H3/b6-5+
InChIKeyDZFUULIPAYGEOA-AATRIKPKSA-N
MW124.14 g/mol
LogP0.79
Rot. Bonds1

About N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine

N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine (PubChem CID 5409326) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine
PubChem CID5409326
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine
SMILESCN(O)/C=C1\C=CC=N1
InChIInChI=1S/C6H8N2O/c1-8(9)5-6-3-2-4-7-6/h2-5,9H,1H3/b6-5+
InChIKeyDZFUULIPAYGEOA-AATRIKPKSA-N
XLogP0.79
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.79
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 N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine?
The IUPAC name of N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine (CID 5409326) is N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine is CN(O)/C=C1\C=CC=N1.
What is the InChIKey of N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine?
The InChIKey is DZFUULIPAYGEOA-AATRIKPKSA-N. The full InChI is InChI=1S/C6H8N2O/c1-8(9)5-6-3-2-4-7-6/h2-5,9H,1H3/b6-5+.
What are the key properties of N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine?
N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine has a molecular weight of 124.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-pyrrol-2-ylidenemethyl]hydroxylamine is sourced from PubChem (CID 5409326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).