N-[1-(3-methoxyphenyl)propylidene]hydroxylamine

C10H13NO2 — CID 159100892

IUPACN-[1-(3-methoxyphenyl)propylidene]hydroxylamine
SMILESCCC(=NO)c1cccc(OC)c1
InChIInChI=1S/C10H13NO2/c1-3-10(11-12)8-5-4-6-9(7-8)13-2/h4-7,12H,3H2,1-2H3
InChIKeyZZHWSXGNLBNOHL-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.28
Rot. Bonds3

About N-[1-(3-methoxyphenyl)propylidene]hydroxylamine

N-[1-(3-methoxyphenyl)propylidene]hydroxylamine (PubChem CID 159100892) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)propylidene]hydroxylamine
PubChem CID159100892
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[1-(3-methoxyphenyl)propylidene]hydroxylamine
SMILESCCC(=NO)c1cccc(OC)c1
InChIInChI=1S/C10H13NO2/c1-3-10(11-12)8-5-4-6-9(7-8)13-2/h4-7,12H,3H2,1-2H3
InChIKeyZZHWSXGNLBNOHL-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

(Z)-N-methoxy-1-(3-methoxyphenyl)propan-1-imine
CID 20642400
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine
CID 130450692
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride
CID 175111806
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
CID 71832094
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
(Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol
CID 89472521

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)propylidene]hydroxylamine?
The IUPAC name of N-[1-(3-methoxyphenyl)propylidene]hydroxylamine (CID 159100892) is N-[1-(3-methoxyphenyl)propylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)propylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-methoxyphenyl)propylidene]hydroxylamine is CCC(=NO)c1cccc(OC)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)propylidene]hydroxylamine?
The InChIKey is ZZHWSXGNLBNOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-10(11-12)8-5-4-6-9(7-8)13-2/h4-7,12H,3H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)propylidene]hydroxylamine?
N-[1-(3-methoxyphenyl)propylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)propylidene]hydroxylamine is sourced from PubChem (CID 159100892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).