tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate

C14H23NO2 — CID 118333554

IUPACtert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate
SMILESC=C(C)C1CC2(CC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)11-8-14(6-7-14)9-15(11)12(16)17-13(3,4)5/h11H,1,6-9H2,2-5H3
InChIKeyHRETYCFUAYJZKF-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.35
Rot. Bonds1

About tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate

tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 118333554) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID118333554
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate
SMILESC=C(C)C1CC2(CC2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)11-8-14(6-7-14)9-15(11)12(16)17-13(3,4)5/h11H,1,6-9H2,2-5H3
InChIKeyHRETYCFUAYJZKF-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.35
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

tert-butyl (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158632210
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid
CID 118990694
potassium;methane;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158891517
(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
CID 163321517
5-O-tert-butyl 6-O-(2-methylpropyl) 5-azaspiro[2.4]heptane-5,6-dicarboxylate
CID 123726934
(7S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid
CID 66848235
tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 168931594
lithium;5-O-tert-butyl 6-O-ethyl 5-azaspiro[2.4]heptane-5,6-dicarboxylate;5-O-tert-butyl 6-O-ethyl (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;ethane;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;hydroxide;hydrate
CID 158104124
tert-butyl 2-acetyl-4,4-dimethylpyrrolidine-1-carboxylate
CID 76789699
8-(9H-fluoren-9-ylmethoxycarbonyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 154776246
8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid
CID 146155602
(2R,4S)-4-hydroxy-4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166799437

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate (CID 118333554) is tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate is C=C(C)C1CC2(CC2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is HRETYCFUAYJZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)11-8-14(6-7-14)9-15(11)12(16)17-13(3,4)5/h11H,1,6-9H2,2-5H3.
What are the key properties of tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate?
tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-prop-1-en-2-yl-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 118333554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).