ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine

C11H17NO — CID 172965019

IUPACethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(C)cc1.CC
InChIInChI=1S/C9H11NO.C2H6/c1-7-3-5-9(6-4-7)8(2)10-11;1-2/h3-6,11H,1-2H3;1-2H3/b10-8+;
InChIKeyIZAOKLYKMZWPIA-VRTOBVRTSA-N
MW179.26 g/mol
LogP3.22
Rot. Bonds1

About ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine

ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine (PubChem CID 172965019) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Nameethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
PubChem CID172965019
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(C)cc1.CC
InChIInChI=1S/C9H11NO.C2H6/c1-7-3-5-9(6-4-7)8(2)10-11;1-2/h3-6,11H,1-2H3;1-2H3/b10-8+;
InChIKeyIZAOKLYKMZWPIA-VRTOBVRTSA-N
XLogP3.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl] 4-methylbenzoate
CID 5070398
(NZ)-N-[1-(4-iodophenyl)ethylidene]hydroxylamine
CID 11470978
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
4-methylbenzenesulfonic acid;N-(1-phenylethylidene)hydroxylamine
CID 87376058
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 160781047
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
(NZ)-N-[1-(4-arsorosophenyl)ethylidene]hydroxylamine
CID 134828178
N-ethynyl-1-(4-methylphenyl)ethanimine
CID 142108987
(NZ)-N-[1-(6-methyl-3-pyridinyl)ethylidene]hydroxylamine
CID 5355190
(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
CID 59667984
ethane;methanol;1,4-xylene
CID 171074418

Frequently Asked Questions

What is the IUPAC name of ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine (CID 172965019) is ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc(C)cc1.CC.
What is the InChIKey of ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is IZAOKLYKMZWPIA-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-7-3-5-9(6-4-7)8(2)10-11;1-2/h3-6,11H,1-2H3;1-2H3/b10-8+;.
What are the key properties of ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine?
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 179.26 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 172965019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).