(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine

C13H13NO3 — CID 22397383

IUPAC(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine
SMILESCOc1cc2ccccc2c(/C=N/O)c1OC
InChIInChI=1S/C13H13NO3/c1-16-12-7-9-5-3-4-6-10(9)11(8-14-15)13(12)17-2/h3-8,15H,1-2H3/b14-8+
InChIKeyFSAXWSRACISGJN-RIYZIHGNSA-N
MW231.25 g/mol
LogP2.67
Rot. Bonds3

About (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine

(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine (PubChem CID 22397383) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine
PubChem CID22397383
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine
SMILESCOc1cc2ccccc2c(/C=N/O)c1OC
InChIInChI=1S/C13H13NO3/c1-16-12-7-9-5-3-4-6-10(9)11(8-14-15)13(12)17-2/h3-8,15H,1-2H3/b14-8+
InChIKeyFSAXWSRACISGJN-RIYZIHGNSA-N
XLogP2.67
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.67
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-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
(E)-3-(2,3-dimethoxynaphthalen-1-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 142740676
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
2-fluoro-3-methoxynaphthalene-1-carbaldehyde
CID 142595682
2-[(E)-hydroxyiminomethyl]-3-methoxyphenol
CID 135755375
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
2-ethyl-4-methoxy-1H-benzo[g]indole
CID 22381004
2-ethyl-3-methoxynaphthalen-1-ol
CID 14616011
2-[4-[(E)-2-(2,3-dimethoxynaphthalen-1-yl)ethenyl]quinolin-1-ium-1-yl]ethanethiol
CID 89323671

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine (CID 22397383) is (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine is COc1cc2ccccc2c(/C=N/O)c1OC.
What is the InChIKey of (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine?
The InChIKey is FSAXWSRACISGJN-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-12-7-9-5-3-4-6-10(9)11(8-14-15)13(12)17-2/h3-8,15H,1-2H3/b14-8+.
What are the key properties of (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine?
(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine has a molecular weight of 231.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 22397383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).