tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate

C12H19NO3 — CID 51050847

IUPACtert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
SMILESC=CCC(=O)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO3/c1-6-8-10(14)13(9-7-2)11(15)16-12(3,4)5/h6-7H,1-2,8-9H2,3-5H3
InChIKeyUNMUDTGLEDFFRW-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.51
Rot. Bonds4

About tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate

tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate (PubChem CID 51050847) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
PubChem CID51050847
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
SMILESC=CCC(=O)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO3/c1-6-8-10(14)13(9-7-2)11(15)16-12(3,4)5/h6-7H,1-2,8-9H2,3-5H3
InChIKeyUNMUDTGLEDFFRW-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.51
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 N-pent-4-enoyl-N-prop-2-enylcarbamate
CID 46201500
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-[(E)-N'-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-prop-2-enylcarbamate
CID 135522645
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
tert-butyl N-[(E)-3-oxobut-1-enyl]-N-prop-2-enylcarbamate
CID 11356552
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate (CID 51050847) is tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate is C=CCC(=O)N(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate?
The InChIKey is UNMUDTGLEDFFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-6-8-10(14)13(9-7-2)11(15)16-12(3,4)5/h6-7H,1-2,8-9H2,3-5H3.
What are the key properties of tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate?
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate has a molecular weight of 225.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 51050847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).