tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate

C12H21NO2 — CID 123959315

IUPACtert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate
SMILESC=C1N(C(=O)OC(C)(C)C)CCC1(C)C
InChIInChI=1S/C12H21NO2/c1-9-12(5,6)7-8-13(9)10(14)15-11(2,3)4/h1,7-8H2,2-6H3
InChIKeyRPDOHEDAXUBNAY-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.17
Rot. Bonds

About tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate

tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate (PubChem CID 123959315) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate
PubChem CID123959315
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate
SMILESC=C1N(C(=O)OC(C)(C)C)CCC1(C)C
InChIInChI=1S/C12H21NO2/c1-9-12(5,6)7-8-13(9)10(14)15-11(2,3)4/h1,7-8H2,2-6H3
InChIKeyRPDOHEDAXUBNAY-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
CID 139533484
tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate
CID 147010560
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 3,3-dimethyl-4-methylidenepiperidine-1-carboxylate
CID 10632966
tert-butyl 4,4-dimethyl-7-nitro-2,3-dihydroquinoline-1-carboxylate
CID 57470253
1-O-tert-butyl 2-O-ethyl (2R)-2-methyl-3-methylidenepyrrolidine-1,2-dicarboxylate
CID 169131306
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
tert-butyl 2-ethenyl-2-methylpiperidine-1-carboxylate
CID 166068808

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate (CID 123959315) is tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate is C=C1N(C(=O)OC(C)(C)C)CCC1(C)C.
What is the InChIKey of tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate?
The InChIKey is RPDOHEDAXUBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-12(5,6)7-8-13(9)10(14)15-11(2,3)4/h1,7-8H2,2-6H3.
What are the key properties of tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate?
tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-dimethyl-2-methylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 123959315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).