methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate

C11H17NO2 — CID 101218053

IUPACmethyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate
SMILESCOC(=O)N1CCCC12CC=CCC2
InChIInChI=1S/C11H17NO2/c1-14-10(13)12-9-5-8-11(12)6-3-2-4-7-11/h2-3H,4-9H2,1H3
InChIKeyHWHJYCVVVDSGCW-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.33
Rot. Bonds

About methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate

methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate (PubChem CID 101218053) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate
PubChem CID101218053
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate
SMILESCOC(=O)N1CCCC12CC=CCC2
InChIInChI=1S/C11H17NO2/c1-14-10(13)12-9-5-8-11(12)6-3-2-4-7-11/h2-3H,4-9H2,1H3
InChIKeyHWHJYCVVVDSGCW-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate
CID 118974431
methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
CID 169312195
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
(2S)-2-ethenyl-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 102589964
methyl 2,2-dimethylazetidine-1-carboxylate
CID 126990009
(1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate
CID 170530279
2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide
CID 95627842
methyl 1-methylcyclooct-3-ene-1-carboxylate
CID 154053677
methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
CID 83847995
1-(3-azaspiro[5.5]undec-9-en-3-yl)ethanone;ethane;molecular hydrogen
CID 163370442
dimethyl (2R,3R)-1,4-dioxaspiro[4.5]dec-7-ene-2,3-dicarboxylate
CID 11988481

Frequently Asked Questions

What is the IUPAC name of methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate?
The IUPAC name of methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate (CID 101218053) is methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate.
What is the SMILES notation for methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate?
The canonical SMILES for methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate is COC(=O)N1CCCC12CC=CCC2.
What is the InChIKey of methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate?
The InChIKey is HWHJYCVVVDSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-10(13)12-9-5-8-11(12)6-3-2-4-7-11/h2-3H,4-9H2,1H3.
What are the key properties of methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate?
methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-azaspiro[4.5]dec-7-ene-1-carboxylate is sourced from PubChem (CID 101218053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).