N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine

C10H13NO2 — CID 562770

IUPACN-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
SMILESCOc1ccccc1CC(C)=NO
InChIInChI=1S/C10H13NO2/c1-8(11-12)7-9-5-3-4-6-10(9)13-2/h3-6,12H,7H2,1-2H3
InChIKeyGBJMYMLSKUVGCD-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.09
Rot. Bonds3

About N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine

N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 562770) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
PubChem CID562770
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
SMILESCOc1ccccc1CC(C)=NO
InChIInChI=1S/C10H13NO2/c1-8(11-12)7-9-5-3-4-6-10(9)13-2/h3-6,12H,7H2,1-2H3
InChIKeyGBJMYMLSKUVGCD-UHFFFAOYSA-N
XLogP2.09
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.09
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-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 5368511
(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495642
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1-(2-chloroprop-2-enyl)-2-methoxybenzene
CID 24721826
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9060327
3-[(2E)-2-hydroxyiminopropyl]benzene-1,2-diol
CID 55250586
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
CID 11321502
1-methoxy-2-(2-methylidenebut-3-enyl)benzene
CID 13111835

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine (CID 562770) is N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine is COc1ccccc1CC(C)=NO.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is GBJMYMLSKUVGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(11-12)7-9-5-3-4-6-10(9)13-2/h3-6,12H,7H2,1-2H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine?
N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 562770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).