N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine

C11H14N2O2 — CID 135541210

IUPACN-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine
SMILESCCC(=NO)C(=NO)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2/c1-3-10(12-14)11(13-15)9-6-4-8(2)5-7-9/h4-7,14-15H,3H2,1-2H3
InChIKeyQDRPOJFOMIMHHQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.41
Rot. Bonds3

About N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine

N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine (PubChem CID 135541210) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine
PubChem CID135541210
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine
SMILESCCC(=NO)C(=NO)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2/c1-3-10(12-14)11(13-15)9-6-4-8(2)5-7-9/h4-7,14-15H,3H2,1-2H3
InChIKeyQDRPOJFOMIMHHQ-UHFFFAOYSA-N
XLogP2.41
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
(NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine
CID 142113819
(3E)-1,1,1-trifluoro-3-hydroxyimino-3-(4-methylphenyl)propan-2-one
CID 10681013
(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
CID 12707912
[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980
(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine
CID 136848910
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
N-[2-chloro-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 85344533
(NZ)-N-[4-methyl-1-(4-methylphenyl)pent-3-enylidene]hydroxylamine
CID 177415583
(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 102550852
(E)-1,2-bis(4-methylphenyl)-N,N'-dioxidoethane-1,2-diimine;methane;tin(2+)
CID 101369346
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine (CID 135541210) is N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine is CCC(=NO)C(=NO)c1ccc(C)cc1.
What is the InChIKey of N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine?
The InChIKey is QDRPOJFOMIMHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-10(12-14)11(13-15)9-6-4-8(2)5-7-9/h4-7,14-15H,3H2,1-2H3.
What are the key properties of N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine?
N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine has a molecular weight of 206.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135541210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).