(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one

C11H11NO3 — CID 6412519

IUPAC(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=N\O)C2=O
InChIInChI=1S/C11H11NO3/c1-15-8-3-4-9-7(6-8)2-5-10(12-14)11(9)13/h3-4,6,14H,2,5H2,1H3/b12-10+
InChIKeyUHLKGOLZLXVSOR-ZRDIBKRKSA-N
MW205.21 g/mol
LogP1.65
Rot. Bonds1

About (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one

(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one (PubChem CID 6412519) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
PubChem CID6412519
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=N\O)C2=O
InChIInChI=1S/C11H11NO3/c1-15-8-3-4-9-7(6-8)2-5-10(12-14)11(9)13/h3-4,6,14H,2,5H2,1H3/b12-10+
InChIKeyUHLKGOLZLXVSOR-ZRDIBKRKSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

2-hydroxyimino-6-methoxy-3H-inden-1-one;6-methoxy-2,3-dihydroinden-1-one
CID 130407306
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
[(5-methoxy-2,3-dihydroinden-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 2876981
5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
(4Z)-4-hydroxyimino-7-methoxy-2,3-dihydro-1H-naphthalene-2-carboxylic acid
CID 82159168
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996
2-[(2-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 165342146
[(Z)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino] methanesulfonate
CID 86723699
(6Z)-6-hydroxyimino-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 125494518
N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane
CID 174673437
7-methoxy-9,10-dihydrophenanthrene-1,4-dione
CID 23251755

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one (CID 6412519) is (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)CC/C(=N\O)C2=O.
What is the InChIKey of (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is UHLKGOLZLXVSOR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-8-3-4-9-7(6-8)2-5-10(12-14)11(9)13/h3-4,6,14H,2,5H2,1H3/b12-10+.
What are the key properties of (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one?
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 205.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 6412519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).