tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate

C11H20N2O2 — CID 18939349

IUPACtert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate
SMILESC=CC1CNCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-5-8-6-12-7-9(8)13-10(14)15-11(2,3)4/h5,8-9,12H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyBXTSUFALAYXTKD-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.29
Rot. Bonds2

About tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate

tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate (PubChem CID 18939349) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate
PubChem CID18939349
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate
SMILESC=CC1CNCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-5-8-6-12-7-9(8)13-10(14)15-11(2,3)4/h5,8-9,12H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyBXTSUFALAYXTKD-UHFFFAOYSA-N
XLogP1.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

rac-tert-butyl N-[(3R,4S)-4-methylpyrrolidin-3-yl]carbamate
CID 53686699
3-Allyl-3-amino-1-boc-pyrrolidine
CID 130068060
tert-butyl N-(2-aminopent-4-en-1-yl)carbamate
CID 130041824
tert-Butyl (4-methylpyrrolidin-3-yl)carbamate
CID 14738853
tert-butyl N-[[4-fluoro-4-[(E)-prop-1-enyl]pyrrolidin-3-yl]methyl]carbamate
CID 170133113
tert-butyl N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 134920554
tert-Butyl ((3R,4R)-4-methylpyrrolidin-3-yl)carbamate
CID 9837083
tert-butyl N-[(3S)-1-prop-2-enylpyrrolidin-3-yl]carbamate
CID 11128013
(3S,4S)-3-(Boc-amino)-4-methylpyrrolidine
CID 11138119
tert-Butyl ((3R,4S)-4-methylpyrrolidin-3-yl)carbamate
CID 14738854
Tert-butyl 3-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 15136241
tert-butyl N-[(3S,4S)-4-[(E)-hex-2-enyl]pyrrolidin-3-yl]carbamate
CID 18666945

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate (CID 18939349) is tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate is C=CC1CNCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate?
The InChIKey is BXTSUFALAYXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-8-6-12-7-9(8)13-10(14)15-11(2,3)4/h5,8-9,12H,1,6-7H2,2-4H3,(H,13,14).
What are the key properties of tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate?
tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 18939349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).