tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate

C16H27NO4 — CID 11426484

IUPACtert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=C)[C@@H]1COC(C)(C)O1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO4/c1-8-9-17(14(18)21-15(3,4)5)10-12(2)13-11-19-16(6,7)20-13/h8,13H,1-2,9-11H2,3-7H3/t13-/m0/s1
InChIKeyFUFGKYHEBSVMFU-ZDUSSCGKSA-N
MW297.39 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate

tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate (PubChem CID 11426484) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
PubChem CID11426484
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Nametert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=C)[C@@H]1COC(C)(C)O1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO4/c1-8-9-17(14(18)21-15(3,4)5)10-12(2)13-11-19-16(6,7)20-13/h8,13H,1-2,9-11H2,3-7H3/t13-/m0/s1
InChIKeyFUFGKYHEBSVMFU-ZDUSSCGKSA-N
XLogP3.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate with MolForge

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Related Compounds

tert-butyl N-but-3-enyl-N-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 135030709
tert-butyl N-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-prop-2-enylcarbamate
CID 135031111
tert-butyl 4-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175370662
tert-butyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydropyrrole-1-carboxylate
CID 11149883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate (CID 11426484) is tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate is C=CCN(CC(=C)[C@@H]1COC(C)(C)O1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate?
The InChIKey is FUFGKYHEBSVMFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27NO4/c1-8-9-17(14(18)21-15(3,4)5)10-12(2)13-11-19-16(6,7)20-13/h8,13H,1-2,9-11H2,3-7H3/t13-/m0/s1.
What are the key properties of tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate?
tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate has a molecular weight of 297.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 11426484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).