tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate

C15H26N2O3 — CID 118034881

IUPACtert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
SMILESC=CCN(CC=C)C1COCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-6-8-17(9-7-2)13-11-19-10-12(13)16-14(18)20-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3,(H,16,18)
InChIKeyFYYMRMRBXHZHOS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.95
Rot. Bonds6

About tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate

tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate (PubChem CID 118034881) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
PubChem CID118034881
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
SMILESC=CCN(CC=C)C1COCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-6-8-17(9-7-2)13-11-19-10-12(13)16-14(18)20-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3,(H,16,18)
InChIKeyFYYMRMRBXHZHOS-UHFFFAOYSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate (CID 118034881) is tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate is C=CCN(CC=C)C1COCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
The InChIKey is FYYMRMRBXHZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-6-8-17(9-7-2)13-11-19-10-12(13)16-14(18)20-15(3,4)5/h6-7,12-13H,1-2,8-11H2,3-5H3,(H,16,18).
What are the key properties of tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate?
tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate is sourced from PubChem (CID 118034881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).