7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide

C10H13N3O3 — CID 10966122

IUPAC7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide
SMILESCC1=C(C(=O)N=[N+]=[N-])CCC2(C1)OCCO2
InChIInChI=1S/C10H13N3O3/c1-7-6-10(15-4-5-16-10)3-2-8(7)9(14)12-13-11/h2-6H2,1H3
InChIKeyWIPYJXJZIITHBA-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.07
Rot. Bonds1

About 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide

7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide (PubChem CID 10966122) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide.

Molecular Properties

Compound Name7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide
PubChem CID10966122
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide
SMILESCC1=C(C(=O)N=[N+]=[N-])CCC2(C1)OCCO2
InChIInChI=1S/C10H13N3O3/c1-7-6-10(15-4-5-16-10)3-2-8(7)9(14)12-13-11/h2-6H2,1H3
InChIKeyWIPYJXJZIITHBA-UHFFFAOYSA-N
XLogP2.07
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

8-[6-(oxan-2-yloxymethyl)-1,3-benzodioxol-5-yl]-1,4-dioxaspiro[4.5]dec-7-ene-7-carbonyl azide
CID 11762033
8-ethenyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 10261708
6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl azide
CID 13181303
methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 54688327
ethyl 8-sulfanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 87302879
methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 154548849
methyl (E)-3-hydroxy-3-methoxy-2-[(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methyl]prop-2-enoate
CID 135047804
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
CID 118230325
ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
4-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
(7E)-7-(dimethylaminomethylidene)-1,4-dioxaspiro[4.5]decan-8-one
CID 10846176

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide?
The IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide (CID 10966122) is 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide.
What is the SMILES notation for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide?
The canonical SMILES for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide is CC1=C(C(=O)N=[N+]=[N-])CCC2(C1)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide?
The InChIKey is WIPYJXJZIITHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-6-10(15-4-5-16-10)3-2-8(7)9(14)12-13-11/h2-6H2,1H3.
What are the key properties of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide?
7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide has a molecular weight of 223.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl azide is sourced from PubChem (CID 10966122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).