tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate

C18H30N2O3 — CID 168683485

IUPACtert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate
SMILESC=CC1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1
InChIInChI=1S/C18H30N2O3/c1-7-13-10-15(21)20(11-13)14-8-9-19(12-18(14,5)6)16(22)23-17(2,3)4/h7,13-14H,1,8-12H2,2-6H3
InChIKeyHYVMTIYEOPFYAX-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate

tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 168683485) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate
PubChem CID168683485
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate
SMILESC=CC1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1
InChIInChI=1S/C18H30N2O3/c1-7-13-10-15(21)20(11-13)14-8-9-19(12-18(14,5)6)16(22)23-17(2,3)4/h7,13-14H,1,8-12H2,2-6H3
InChIKeyHYVMTIYEOPFYAX-UHFFFAOYSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-[cyclopent-3-ene-1-carbonyl(methyl)amino]piperidine-1-carboxylate
CID 72003842
Tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
CID 168683868
Tert-butyl 4-[2-(2-oxo-3-prop-1-enylpyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 53962288
Di-tert-butyl 4-allyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 71304229
ditert-butyl (4R)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 97115119
ditert-butyl (4S)-3-oxo-4-prop-2-enyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 97115120
Tert-butyl 3,3-dimethyl-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 132388126
tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 168683426
tert-butyl (1R,5S)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168683427
Tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
Tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)azepane-1-carboxylate
CID 168683489
tert-butyl (3R)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683490

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate (CID 168683485) is tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate is C=CC1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1.
What is the InChIKey of tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is HYVMTIYEOPFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-13-10-15(21)20(11-13)14-8-9-19(12-18(14,5)6)16(22)23-17(2,3)4/h7,13-14H,1,8-12H2,2-6H3.
What are the key properties of tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 168683485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).