(2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile

C6H10N2O2 — CID 13139772

IUPAC(2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile
SMILESCOC(C)(C)/C(C#N)=N/O
InChIInChI=1S/C6H10N2O2/c1-6(2,10-3)5(4-7)8-9/h9H,1-3H3/b8-5+
InChIKeyOUNQMEAWCHUFCB-VMPITWQZSA-N
MW142.16 g/mol
LogP0.77
Rot. Bonds2

About (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile

(2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile (PubChem CID 13139772) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile
PubChem CID13139772
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile
SMILESCOC(C)(C)/C(C#N)=N/O
InChIInChI=1S/C6H10N2O2/c1-6(2,10-3)5(4-7)8-9/h9H,1-3H3/b8-5+
InChIKeyOUNQMEAWCHUFCB-VMPITWQZSA-N
XLogP0.77
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(1,1-dimethoxyethyl)but-2-enenitrile
CID 20870756
2-(1-methoxy-2,2-dimethylpropylidene)propanedinitrile
CID 54429508
N'-amino-2-methoxy-2-methylpropanimidamide
CID 79204608
N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide
CID 103028992
2-methoxy-2-methylpropane;hydrate
CID 23212559
potassium;acetonitrile;2-methoxy-2-methylpropane;hydroxide;hydrate
CID 175019330
methyl 3-tert-butyl-2-cyano-4,4-dimethylpent-2-enoate
CID 134369183
2-methoxy-2-methylpropanoate
CID 21283494
2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile
CID 21429800
(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
CID 88687891
ethyl 2-(dicyanomethylideneamino)oxy-2-methylpropanoate
CID 19812269
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl cyanide
CID 102573910

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile?
The IUPAC name of (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile (CID 13139772) is (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile.
What is the SMILES notation for (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile?
The canonical SMILES for (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile is COC(C)(C)/C(C#N)=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile?
The InChIKey is OUNQMEAWCHUFCB-VMPITWQZSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-6(2,10-3)5(4-7)8-9/h9H,1-3H3/b8-5+.
What are the key properties of (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile?
(2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile has a molecular weight of 142.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-methoxy-3-methylbutanenitrile is sourced from PubChem (CID 13139772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).