(NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine

C15H17NO2 — CID 10847816

IUPAC(NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(-c2c(C)cc(C)cc2C)o1
InChIInChI=1S/C15H17NO2/c1-9-7-10(2)15(11(3)8-9)14-6-5-13(18-14)12(4)16-17/h5-8,17H,1-4H3/b16-12+
InChIKeyQHZKAOZKBZHPCS-FOWTUZBSSA-N
MW243.31 g/mol
LogP4.07
Rot. Bonds2

About (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine

(NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine (PubChem CID 10847816) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine
PubChem CID10847816
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(-c2c(C)cc(C)cc2C)o1
InChIInChI=1S/C15H17NO2/c1-9-7-10(2)15(11(3)8-9)14-6-5-13(18-14)12(4)16-17/h5-8,17H,1-4H3/b16-12+
InChIKeyQHZKAOZKBZHPCS-FOWTUZBSSA-N
XLogP4.07
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.07
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

dichloroiron;N-[dimethylamino-[(E)-1-[5-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]furan-2-yl]ethylideneamino]phosphanyl]-N-methylmethanamine
CID 20702141
N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide
CID 54267096
dichloroiron;(E)-1-[5-[(E)-C-methyl-N-triphenylsilylcarbonimidoyl]furan-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 20701761
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylbenzene-1,3-diol
CID 137239064
N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide
CID 54586462
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
CID 63424237
(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
CID 91619623
N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 1489109
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
CID 151002996
5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid
CID 82820130

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine (CID 10847816) is (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(-c2c(C)cc(C)cc2C)o1.
What is the InChIKey of (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine?
The InChIKey is QHZKAOZKBZHPCS-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-7-10(2)15(11(3)8-9)14-6-5-13(18-14)12(4)16-17/h5-8,17H,1-4H3/b16-12+.
What are the key properties of (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine?
(NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine has a molecular weight of 243.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 10847816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).