(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine

C10H13NO2 — CID 58938988

IUPAC(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
SMILESCOc1c(C)cc(/C=N/O)cc1C
InChIInChI=1S/C10H13NO2/c1-7-4-9(6-11-12)5-8(2)10(7)13-3/h4-6,12H,1-3H3/b11-6+
InChIKeySZDBIYZPTNPKJD-IZZDOVSWSA-N
MW179.22 g/mol
LogP2.12
Rot. Bonds2

About (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine

(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine (PubChem CID 58938988) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
PubChem CID58938988
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
SMILESCOc1c(C)cc(/C=N/O)cc1C
InChIInChI=1S/C10H13NO2/c1-7-4-9(6-11-12)5-8(2)10(7)13-3/h4-6,12H,1-3H3/b11-6+
InChIKeySZDBIYZPTNPKJD-IZZDOVSWSA-N
XLogP2.12
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.12
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

(NZ)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 87388843
(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 124501175
4-methoxy-3,5-dimethylphenol
CID 643378
[4-[(E)-hydroxyiminomethyl]-2,6-dimethylphenyl] 3-methylbenzoate
CID 129451063
5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
CID 59065283
N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
CID 163231352
N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine
CID 56607063
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
(NE)-N-[[4-(4-methoxy-3-methylphenyl)phenyl]methylidene]hydroxylamine
CID 135329420
5-[(E)-hydroxyiminomethyl]-2,3-dimethylbenzonitrile
CID 118563839
2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol
CID 171131966

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine (CID 58938988) is (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine is COc1c(C)cc(/C=N/O)cc1C.
What is the InChIKey of (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine?
The InChIKey is SZDBIYZPTNPKJD-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-9(6-11-12)5-8(2)10(7)13-3/h4-6,12H,1-3H3/b11-6+.
What are the key properties of (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 58938988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).