(NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine

C16H13NO2 — CID 10037794

IUPAC(NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H13NO2/c1-11(17-18)13-7-8-15-14(9-13)10-16(19-15)12-5-3-2-4-6-12/h2-10,18H,1H3/b17-11-
InChIKeyXIQIRBVFIHIYMM-BOPFTXTBSA-N
MW251.28 g/mol
LogP4.30
Rot. Bonds2

About (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine (PubChem CID 10037794) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine
PubChem CID10037794
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name(NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H13NO2/c1-11(17-18)13-7-8-15-14(9-13)10-16(19-15)12-5-3-2-4-6-12/h2-10,18H,1H3/b17-11-
InChIKeyXIQIRBVFIHIYMM-BOPFTXTBSA-N
XLogP4.30
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
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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Related Compounds

hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium
CID 174874246
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
hydrazine;(2-phenyl-1-benzofuran-5-yl)hydrazine
CID 178170434
1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine
CID 168513405
2-pyridin-3-yl-1-benzofuran-5-carboxylic acid
CID 66865227
2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile
CID 135058554
2-[4-(3-phenoxypropoxy)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide
CID 45270220
N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine
CID 137224922
2-[4-(6-phenoxyhexoxy)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide
CID 45271048
2-[3-(4-phenoxybutoxy)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide
CID 45268536
methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
CID 67551871
2-[4-(1-benzofuran-2-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150985

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine (CID 10037794) is (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine is C/C(=N/O)c1ccc2oc(-c3ccccc3)cc2c1.
What is the InChIKey of (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine?
The InChIKey is XIQIRBVFIHIYMM-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11(17-18)13-7-8-15-14(9-13)10-16(19-15)12-5-3-2-4-6-12/h2-10,18H,1H3/b17-11-.
What are the key properties of (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine has a molecular weight of 251.28 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2-phenyl-1-benzofuran-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 10037794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).