tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate

C14H24N2O2 — CID 155344858

IUPACtert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate
SMILESC=C1CCN(C2CN(C(=O)OC(C)(C)C)C2)C1C
InChIInChI=1S/C14H24N2O2/c1-10-6-7-16(11(10)2)12-8-15(9-12)13(17)18-14(3,4)5/h11-12H,1,6-9H2,2-5H3
InChIKeyBCVJTLDENFBJBE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate

tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate (PubChem CID 155344858) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate
PubChem CID155344858
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate
SMILESC=C1CCN(C2CN(C(=O)OC(C)(C)C)C2)C1C
InChIInChI=1S/C14H24N2O2/c1-10-6-7-16(11(10)2)12-8-15(9-12)13(17)18-14(3,4)5/h11-12H,1,6-9H2,2-5H3
InChIKeyBCVJTLDENFBJBE-UHFFFAOYSA-N
XLogP2.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.26
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 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate
CID 155344878
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 19955570
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl (3R)-4-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 124567228
tert-butyl 4-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 67336373
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71720972
tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 153403871
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
(carboxyamino)-[(3S)-4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 174813747
tert-butyl 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 138622116

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate (CID 155344858) is tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate is C=C1CCN(C2CN(C(=O)OC(C)(C)C)C2)C1C.
What is the InChIKey of tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate?
The InChIKey is BCVJTLDENFBJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-6-7-16(11(10)2)12-8-15(9-12)13(17)18-14(3,4)5/h11-12H,1,6-9H2,2-5H3.
What are the key properties of tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate?
tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate is sourced from PubChem (CID 155344858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).