N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine

C18H16NO2P — CID 151211665

IUPACN-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine
SMILESON=C(CP(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C18H16NO2P/c20-19-17(18-12-7-13-21-18)14-22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,20H,14H2
InChIKeyNKKHYFHPPRTYTO-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.59
Rot. Bonds5

About N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine

N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine (PubChem CID 151211665) has the molecular formula C18H16NO2P and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine
PubChem CID151211665
Molecular FormulaC18H16NO2P
Molecular Weight309.31 g/mol
Exact Mass309.09
IUPAC NameN-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine
SMILESON=C(CP(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C18H16NO2P/c20-19-17(18-12-7-13-21-18)14-22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,20H,14H2
InChIKeyNKKHYFHPPRTYTO-UHFFFAOYSA-N
XLogP3.59
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.59
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
benzyl N-hydroxyfuran-2-carboximidothioate
CID 131873115
bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
CID 135436493
3-diphenylphosphanylprop-1-en-2-ol
CID 58420868
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
N,N-dibenzylfuran-2-carboxamide
CID 762503
2-[(Z)-C-(furan-2-yl)-N-hydroxycarbonimidoyl]phenol
CID 135463584
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863
8-(furan-2-yl)-N-hydroxy-8-hydroxyiminooctanamide
CID 74015259
(NZ)-N-[(2R)-1-(furan-2-yl)-2-(hydroxyamino)propylidene]hydroxylamine
CID 27444187
[furan-2-yl(hydroxy)methylidene]chromium
CID 11728114
(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one
CID 694879

Frequently Asked Questions

What is the IUPAC name of N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine (CID 151211665) is N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine is ON=C(CP(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine?
The InChIKey is NKKHYFHPPRTYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO2P/c20-19-17(18-12-7-13-21-18)14-22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,20H,14H2.
What are the key properties of N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine?
N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine has a molecular weight of 309.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 151211665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).