N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine

C5H10N2O2 — CID 137185576

IUPACN-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine
SMILESCC(C)C(C=NO)=NO
InChIInChI=1S/C5H10N2O2/c1-4(2)5(7-9)3-6-8/h3-4,8-9H,1-2H3
InChIKeyZTERIPKMCYUAAI-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.93
Rot. Bonds2

About N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine

N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine (PubChem CID 137185576) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine
PubChem CID137185576
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC NameN-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine
SMILESCC(C)C(C=NO)=NO
InChIInChI=1S/C5H10N2O2/c1-4(2)5(7-9)3-6-8/h3-4,8-9H,1-2H3
InChIKeyZTERIPKMCYUAAI-UHFFFAOYSA-N
XLogP0.93
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
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

(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 135538356
N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
CID 161461506
(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine
CID 177442620
(Z)-5-methyl-4-phenyliminohex-2-en-2-amine
CID 177051041
N',2-dihydroxypropanimidamide
CID 5063567
(Z)-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]prop-1-en-2-amine
CID 155330670
(NE)-N-(3-methoxybutylidene)hydroxylamine
CID 177477593
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
CID 77028692
1,1-diethoxyethane;(1E)-1-hydroxyiminopropan-2-one
CID 88690557
N-ethylidenehydroxylamine
CID 157067638
N-(5-hydroxyimino-4-methylpentan-2-ylidene)hydroxylamine
CID 131888564
3-methyl-2-N-propan-2-ylbutane-1,2-diimine
CID 126601758

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine (CID 137185576) is N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine is CC(C)C(C=NO)=NO.
What is the InChIKey of N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine?
The InChIKey is ZTERIPKMCYUAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-4(2)5(7-9)3-6-8/h3-4,8-9H,1-2H3.
What are the key properties of N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine?
N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine has a molecular weight of 130.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 137185576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).