tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate

C13H21NO3 — CID 46201500

IUPACtert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
SMILESC=CCCC(=O)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO3/c1-6-8-9-11(15)14(10-7-2)12(16)17-13(3,4)5/h6-7H,1-2,8-10H2,3-5H3
InChIKeyLLAPFWCWXPFBHW-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate

tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate (PubChem CID 46201500) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
PubChem CID46201500
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
SMILESC=CCCC(=O)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO3/c1-6-8-9-11(15)14(10-7-2)12(16)17-13(3,4)5/h6-7H,1-2,8-10H2,3-5H3
InChIKeyLLAPFWCWXPFBHW-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.90
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-enoyl-N-prop-2-enylcarbamate
CID 51050847
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
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
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-methyl-N-[(2S)-4-(pent-4-enoylamino)butan-2-yl]carbamate
CID 97019603
tert-butyl N-[(4Z)-4-hydroxyiminobutan-2-yl]-N-prop-2-enylcarbamate
CID 102278228

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate (CID 46201500) is tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate is C=CCCC(=O)N(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate?
The InChIKey is LLAPFWCWXPFBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-6-8-9-11(15)14(10-7-2)12(16)17-13(3,4)5/h6-7H,1-2,8-10H2,3-5H3.
What are the key properties of tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate?
tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate has a molecular weight of 239.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 46201500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).