2-diazo-3,8-dimethoxyacenaphthylen-1-one

C14H10N2O3 — CID 11391152

IUPAC2-diazo-3,8-dimethoxyacenaphthylen-1-one
SMILESCOc1ccc2ccc(OC)c3c2c1C(=O)C3=[N+]=[N-]
InChIInChI=1S/C14H10N2O3/c1-18-8-5-3-7-4-6-9(19-2)12-10(7)11(8)13(16-15)14(12)17/h3-6H,1-2H3
InChIKeyHGBUIFRGNRFNIB-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.07
Rot. Bonds2

About 2-diazo-3,8-dimethoxyacenaphthylen-1-one

2-diazo-3,8-dimethoxyacenaphthylen-1-one (PubChem CID 11391152) has the molecular formula C14H10N2O3 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-diazo-3,8-dimethoxyacenaphthylen-1-one.

Molecular Properties

Compound Name2-diazo-3,8-dimethoxyacenaphthylen-1-one
PubChem CID11391152
Molecular FormulaC14H10N2O3
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name2-diazo-3,8-dimethoxyacenaphthylen-1-one
SMILESCOc1ccc2ccc(OC)c3c2c1C(=O)C3=[N+]=[N-]
InChIInChI=1S/C14H10N2O3/c1-18-8-5-3-7-4-6-9(19-2)12-10(7)11(8)13(16-15)14(12)17/h3-6H,1-2H3
InChIKeyHGBUIFRGNRFNIB-UHFFFAOYSA-N
XLogP2.07
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione
CID 139084304
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
9-diazo-1-methoxyfluorene
CID 14902562
2-methoxycycloprop-2-en-1-one
CID 140769587
4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one
CID 12943493
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
1,8-bis(6-methoxypyren-1-yl)pyrene
CID 58908186
2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 634823
1,4,5,8-tetramethoxynaphthalene
CID 10220551
11-amino-6-methoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
CID 54380420
3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one
CID 11174024
2-bromo-5,8-dimethoxy-3-methylnaphthalene-1,4-dione
CID 628531

Frequently Asked Questions

What is the IUPAC name of 2-diazo-3,8-dimethoxyacenaphthylen-1-one?
The IUPAC name of 2-diazo-3,8-dimethoxyacenaphthylen-1-one (CID 11391152) is 2-diazo-3,8-dimethoxyacenaphthylen-1-one.
What is the SMILES notation for 2-diazo-3,8-dimethoxyacenaphthylen-1-one?
The canonical SMILES for 2-diazo-3,8-dimethoxyacenaphthylen-1-one is COc1ccc2ccc(OC)c3c2c1C(=O)C3=[N+]=[N-].
What is the InChIKey of 2-diazo-3,8-dimethoxyacenaphthylen-1-one?
The InChIKey is HGBUIFRGNRFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-18-8-5-3-7-4-6-9(19-2)12-10(7)11(8)13(16-15)14(12)17/h3-6H,1-2H3.
What are the key properties of 2-diazo-3,8-dimethoxyacenaphthylen-1-one?
2-diazo-3,8-dimethoxyacenaphthylen-1-one has a molecular weight of 254.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-3,8-dimethoxyacenaphthylen-1-one is sourced from PubChem (CID 11391152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).