(2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one

C13H15NO4 — CID 168830521

IUPAC(2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one
SMILESCOc1cc(C)c(OC)c2c1C(=O)/C(=N\O)CC2
InChIInChI=1S/C13H15NO4/c1-7-6-10(17-2)11-8(13(7)18-3)4-5-9(14-16)12(11)15/h6,16H,4-5H2,1-3H3/b14-9-
InChIKeyKMJATQPKEDGRDW-ZROIWOOFSA-N
MW249.27 g/mol
LogP1.97
Rot. Bonds2

About (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one

(2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one (PubChem CID 168830521) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one
PubChem CID168830521
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one
SMILESCOc1cc(C)c(OC)c2c1C(=O)/C(=N\O)CC2
InChIInChI=1S/C13H15NO4/c1-7-6-10(17-2)11-8(13(7)18-3)4-5-9(14-16)12(11)15/h6,16H,4-5H2,1-3H3/b14-9-
InChIKeyKMJATQPKEDGRDW-ZROIWOOFSA-N
XLogP1.97
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one (CID 168830521) is (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one is COc1cc(C)c(OC)c2c1C(=O)/C(=N\O)CC2.
What is the InChIKey of (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one?
The InChIKey is KMJATQPKEDGRDW-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H15NO4/c1-7-6-10(17-2)11-8(13(7)18-3)4-5-9(14-16)12(11)15/h6,16H,4-5H2,1-3H3/b14-9-.
What are the key properties of (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one?
(2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one has a molecular weight of 249.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-5,8-dimethoxy-6-methyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 168830521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).