N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine

C18H16N2O2 — CID 141049999

IUPACN-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine
SMILESON=C(Cc1ccc[nH]1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c21-20-18(13-15-5-4-12-19-15)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-12,19,21H,13H2
InChIKeyUCRNEEUVIFACLV-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine

N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine (PubChem CID 141049999) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine
PubChem CID141049999
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine
SMILESON=C(Cc1ccc[nH]1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c21-20-18(13-15-5-4-12-19-15)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-12,19,21H,13H2
InChIKeyUCRNEEUVIFACLV-UHFFFAOYSA-N
XLogP4.23
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine (CID 141049999) is N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine is ON=C(Cc1ccc[nH]1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine?
The InChIKey is UCRNEEUVIFACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-20-18(13-15-5-4-12-19-15)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-12,19,21H,13H2.
What are the key properties of N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine?
N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine has a molecular weight of 292.34 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 141049999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).