tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate

C15H26N2O3 — CID 118798912

IUPACtert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCC(=O)N1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-5-9-17(14(19)20-15(2,3)4)12-8-13(18)16-10-6-7-11-16/h5H,1,6-12H2,2-4H3
InChIKeySEONRIPGBKMFJI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.42
Rot. Bonds5

About tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate

tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate (PubChem CID 118798912) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate
PubChem CID118798912
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCC(=O)N1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-5-9-17(14(19)20-15(2,3)4)12-8-13(18)16-10-6-7-11-16/h5H,1,6-12H2,2-4H3
InChIKeySEONRIPGBKMFJI-UHFFFAOYSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.42
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

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propyl]amino]propyl]amino]ethyl]piperidine-1-carboxylate
CID 18940748
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]propanoate
CID 130281670
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 102520805
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[(E)-4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propyl]amino]but-2-enyl]carbamate
CID 19956406
N-prop-2-enyl-N-propylpiperidine-1-carboxamide
CID 116657075
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
2-oxo-N,N-bis(prop-2-enyl)-2-pyrrolidin-1-ylacetamide
CID 108516735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate (CID 118798912) is tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate is C=CCN(CCC(=O)N1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate?
The InChIKey is SEONRIPGBKMFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-9-17(14(19)20-15(2,3)4)12-8-13(18)16-10-6-7-11-16/h5H,1,6-12H2,2-4H3.
What are the key properties of tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate?
tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate has a molecular weight of 282.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 118798912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).