[8-(2-diazoacetyl)naphthalen-2-yl] acetate

C14H10N2O3 — CID 154113975

IUPAC[8-(2-diazoacetyl)naphthalen-2-yl] acetate
SMILESCC(=O)Oc1ccc2cccc(C(=O)C=[N+]=[N-])c2c1
InChIInChI=1S/C14H10N2O3/c1-9(17)19-11-6-5-10-3-2-4-12(13(10)7-11)14(18)8-16-15/h2-8H,1H3
InChIKeyJPNYTRMKLLOXCB-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.25
Rot. Bonds3

About [8-(2-diazoacetyl)naphthalen-2-yl] acetate

[8-(2-diazoacetyl)naphthalen-2-yl] acetate (PubChem CID 154113975) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is [8-(2-diazoacetyl)naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[8-(2-diazoacetyl)naphthalen-2-yl] acetate
PubChem CID154113975
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name[8-(2-diazoacetyl)naphthalen-2-yl] acetate
SMILESCC(=O)Oc1ccc2cccc(C(=O)C=[N+]=[N-])c2c1
InChIInChI=1S/C14H10N2O3/c1-9(17)19-11-6-5-10-3-2-4-12(13(10)7-11)14(18)8-16-15/h2-8H,1H3
InChIKeyJPNYTRMKLLOXCB-UHFFFAOYSA-N
XLogP2.25
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triphenylen-2-yl acetate;hydrochloride
CID 142787711
(12-oxobenzo[a]xanthen-10-yl) acetate
CID 135193706
[5-(3-diazo-2-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
CID 85205369
[6-(2-aminoacetyl)phenanthren-3-yl] acetate
CID 170860274
(5-propan-2-ylnaphthalen-2-yl) acetate
CID 23110894
N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
CID 44541672
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
(6-benzylnaphthalen-2-yl) acetate
CID 132602814
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
(7-hexoxynaphthalen-1-yl) acetate
CID 150519564
[2-(4-acetyloxyphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 3298622

Frequently Asked Questions

What is the IUPAC name of [8-(2-diazoacetyl)naphthalen-2-yl] acetate?
The IUPAC name of [8-(2-diazoacetyl)naphthalen-2-yl] acetate (CID 154113975) is [8-(2-diazoacetyl)naphthalen-2-yl] acetate.
What is the SMILES notation for [8-(2-diazoacetyl)naphthalen-2-yl] acetate?
The canonical SMILES for [8-(2-diazoacetyl)naphthalen-2-yl] acetate is CC(=O)Oc1ccc2cccc(C(=O)C=[N+]=[N-])c2c1.
What is the InChIKey of [8-(2-diazoacetyl)naphthalen-2-yl] acetate?
The InChIKey is JPNYTRMKLLOXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-9(17)19-11-6-5-10-3-2-4-12(13(10)7-11)14(18)8-16-15/h2-8H,1H3.
What are the key properties of [8-(2-diazoacetyl)naphthalen-2-yl] acetate?
[8-(2-diazoacetyl)naphthalen-2-yl] acetate has a molecular weight of 254.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-diazoacetyl)naphthalen-2-yl] acetate is sourced from PubChem (CID 154113975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).