(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine

C14H15NO3 — CID 125472471

IUPAC(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N\O)c2ccccc2c1OC
InChIInChI=1S/C14H15NO3/c1-9(15-16)12-8-13(17-2)14(18-3)11-7-5-4-6-10(11)12/h4-8,16H,1-3H3/b15-9-
InChIKeyFKVMLPGGTCSWIM-DHDCSXOGSA-N
MW245.28 g/mol
LogP3.06
Rot. Bonds3

About (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine (PubChem CID 125472471) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine
PubChem CID125472471
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N\O)c2ccccc2c1OC
InChIInChI=1S/C14H15NO3/c1-9(15-16)12-8-13(17-2)14(18-3)11-7-5-4-6-10(11)12/h4-8,16H,1-3H3/b15-9-
InChIKeyFKVMLPGGTCSWIM-DHDCSXOGSA-N
XLogP3.06
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
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

N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide
CID 15940938
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
1-oxo-2-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxylic acid
CID 71691548
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 11209917
(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 22397383
1,2-dimethoxy-4-nitronaphthalene
CID 12579212
2,4-dimethoxynaphthalen-1-ol
CID 12563547
(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine
CID 110447871
[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
CID 59148511

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine (CID 125472471) is (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine is COc1cc(/C(C)=N\O)c2ccccc2c1OC.
What is the InChIKey of (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine?
The InChIKey is FKVMLPGGTCSWIM-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(15-16)12-8-13(17-2)14(18-3)11-7-5-4-6-10(11)12/h4-8,16H,1-3H3/b15-9-.
What are the key properties of (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine has a molecular weight of 245.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 125472471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).