N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride

C11H17ClN2O3 — CID 2872295

IUPACN-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride
SMILESCOc1ccc(C(=NO)C(C)(C)NO)cc1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-11(2,13-15)10(12-14)8-4-6-9(16-3)7-5-8;/h4-7,13-15H,1-3H3;1H
InChIKeyQGJBTVKVSYVGGA-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride

N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride (PubChem CID 2872295) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride
PubChem CID2872295
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC NameN-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride
SMILESCOc1ccc(C(=NO)C(C)(C)NO)cc1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-11(2,13-15)10(12-14)8-4-6-9(16-3)7-5-8;/h4-7,13-15H,1-3H3;1H
InChIKeyQGJBTVKVSYVGGA-UHFFFAOYSA-N
XLogP2.05
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 19866956
N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide
CID 154186935
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135591078
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135474620
N-hydroxy-4-methoxybenzenecarbothioamide
CID 12637483
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
CID 12714057
CID 12714057
(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide
CID 137295692

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride (CID 2872295) is N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride is COc1ccc(C(=NO)C(C)(C)NO)cc1.Cl.
What is the InChIKey of N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride?
The InChIKey is QGJBTVKVSYVGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.ClH/c1-11(2,13-15)10(12-14)8-4-6-9(16-3)7-5-8;/h4-7,13-15H,1-3H3;1H.
What are the key properties of N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride?
N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride has a molecular weight of 260.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 2872295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).