3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one

C11H14N2O2 — CID 137302799

IUPAC3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one
SMILESCC1(C(=O)C=[N+]=[N-])C(=O)CC12CCCC2
InChIInChI=1S/C11H14N2O2/c1-10(9(15)7-13-12)8(14)6-11(10)4-2-3-5-11/h7H,2-6H2,1H3
InChIKeyNWMSILXSJRGZLX-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.40
Rot. Bonds2

About 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one

3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one (PubChem CID 137302799) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one.

Molecular Properties

Compound Name3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one
PubChem CID137302799
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one
SMILESCC1(C(=O)C=[N+]=[N-])C(=O)CC12CCCC2
InChIInChI=1S/C11H14N2O2/c1-10(9(15)7-13-12)8(14)6-11(10)4-2-3-5-11/h7H,2-6H2,1H3
InChIKeyNWMSILXSJRGZLX-UHFFFAOYSA-N
XLogP1.40
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

2-(2-diazoacetyl)-2,3-dimethyl-3-pentylcyclobutan-1-one
CID 137302777
(1S,4R)-1-(2-diazoacetyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 135404692
tricyclo[3.3.2.01,5]decan-9-one
CID 12564319
6,6-dimethylspiro[2.3]hexan-5-one
CID 178200675
[1-(2-trimethylsilylethynyl)cyclooctyl] 2-diazoacetate
CID 137313564
2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone
CID 7095252
2-diazo-1,1,3,3-tetramethylcycloheptane
CID 13212155
(2-oxo-3-phenylsulfanylspiro[3.5]nonan-3-yl) acetate
CID 10804472
(2E)-2-(3,3-dimethylcyclohexylidene)acetic acid
CID 6428755
2-diazo-1-(2-ethyl-4,6-dimethyl-1,3-dioxan-2-yl)ethanone
CID 85420041
3,3-dimethylcycloheptan-1-one
CID 12702041
2-acetyl-2-methylcyclopropan-1-one
CID 58194854

Frequently Asked Questions

What is the IUPAC name of 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one?
The IUPAC name of 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one (CID 137302799) is 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one.
What is the SMILES notation for 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one?
The canonical SMILES for 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one is CC1(C(=O)C=[N+]=[N-])C(=O)CC12CCCC2.
What is the InChIKey of 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one?
The InChIKey is NWMSILXSJRGZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-10(9(15)7-13-12)8(14)6-11(10)4-2-3-5-11/h7H,2-6H2,1H3.
What are the key properties of 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one?
3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-diazoacetyl)-3-methylspiro[3.4]octan-2-one is sourced from PubChem (CID 137302799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).