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-(but-3-en-1-yl)-N-methylcarbamate
CID 18624577
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tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate
CID 45140672
tert-Butyl di(but-3-en-1-yl)carbamate
CID 86280169
Tert-butyl allyl(2-methylallyl)carbamate
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tert-butyl 4-ethenyl-3-methyl-5-oxo-2H-pyrrole-1-carboxylate
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tert-butyl N-but-3-enyl-N-(2-fluoroprop-2-enoyl)carbamate
CID 152449637
tert-butyl (2S)-6-oxo-2-prop-2-enyl-2,5-dihydropyridine-1-carboxylate
CID 101486512
tert-butyl N-but-3-enyl-N-(2-methylprop-2-enyl)carbamate
CID 101496401
tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate
CID 135077755
tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate
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tert-butyl N-butyl-N-prop-2-enylcarbamate
CID 10375926

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).