ethyl N-but-3-enoxycarbonylcarbamate

C8H13NO4 — CID 15307637

IUPACethyl N-but-3-enoxycarbonylcarbamate
SMILESC=CCCOC(=O)NC(=O)OCC
InChIInChI=1S/C8H13NO4/c1-3-5-6-13-8(11)9-7(10)12-4-2/h3H,1,4-6H2,2H3,(H,9,10,11)
InChIKeyVRGRUPWUYOQPFN-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.45
Rot. Bonds4

About ethyl N-but-3-enoxycarbonylcarbamate

ethyl N-but-3-enoxycarbonylcarbamate (PubChem CID 15307637) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is ethyl N-but-3-enoxycarbonylcarbamate.

Molecular Properties

Compound Nameethyl N-but-3-enoxycarbonylcarbamate
PubChem CID15307637
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Nameethyl N-but-3-enoxycarbonylcarbamate
SMILESC=CCCOC(=O)NC(=O)OCC
InChIInChI=1S/C8H13NO4/c1-3-5-6-13-8(11)9-7(10)12-4-2/h3H,1,4-6H2,2H3,(H,9,10,11)
InChIKeyVRGRUPWUYOQPFN-UHFFFAOYSA-N
XLogP1.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-3-enyl N-(C-methylsulfanylcarbonimidoyl)carbamate
CID 140521633
but-3-enyl N-methylcarbamate;hept-1-ene
CID 157391424
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
ethyl hex-5-enyl carbonate
CID 45140691
diethyl 2-but-3-enoxypropanedioate
CID 88610894
ethyl (prop-2-enoxycarbonylamino) carbonate
CID 101097920
ethyl N-ethenylsilylcarbamate
CID 173181383
ethyl 4-but-3-enoxy-3-oxobutanoate
CID 63890082
2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane
CID 143807021
ethyl 3-but-3-enoxypropanoate
CID 43174166
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate
CID 90216301

Frequently Asked Questions

What is the IUPAC name of ethyl N-but-3-enoxycarbonylcarbamate?
The IUPAC name of ethyl N-but-3-enoxycarbonylcarbamate (CID 15307637) is ethyl N-but-3-enoxycarbonylcarbamate.
What is the SMILES notation for ethyl N-but-3-enoxycarbonylcarbamate?
The canonical SMILES for ethyl N-but-3-enoxycarbonylcarbamate is C=CCCOC(=O)NC(=O)OCC.
What is the InChIKey of ethyl N-but-3-enoxycarbonylcarbamate?
The InChIKey is VRGRUPWUYOQPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-3-5-6-13-8(11)9-7(10)12-4-2/h3H,1,4-6H2,2H3,(H,9,10,11).
What are the key properties of ethyl N-but-3-enoxycarbonylcarbamate?
ethyl N-but-3-enoxycarbonylcarbamate has a molecular weight of 187.19 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-but-3-enoxycarbonylcarbamate is sourced from PubChem (CID 15307637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).