N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine

C11H10N2O — CID 870729

IUPACN-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine
SMILESON=Cc1cccn1-c1ccccc1
InChIInChI=1S/C11H10N2O/c14-12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h1-9,14H
InChIKeyGFJSURQCDNEJDI-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.29
Rot. Bonds2

About N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine

N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine (PubChem CID 870729) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine
PubChem CID870729
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC NameN-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine
SMILESON=Cc1cccn1-c1ccccc1
InChIInChI=1S/C11H10N2O/c14-12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h1-9,14H
InChIKeyGFJSURQCDNEJDI-UHFFFAOYSA-N
XLogP2.29
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_M(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine (CID 870729) is N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine is ON=Cc1cccn1-c1ccccc1.
What is the InChIKey of N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine?
The InChIKey is GFJSURQCDNEJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h1-9,14H.
What are the key properties of N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine?
N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine has a molecular weight of 186.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 870729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).