ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate

C9H15NO4 — CID 141383957

IUPACethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate
SMILESC=C(COCC)C(=O)NC(=O)OCC
InChIInChI=1S/C9H15NO4/c1-4-13-6-7(3)8(11)10-9(12)14-5-2/h3-6H2,1-2H3,(H,10,11,12)
InChIKeyLFHYODVEDHSLGZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.85
Rot. Bonds5

About ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate

ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate (PubChem CID 141383957) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate
PubChem CID141383957
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate
SMILESC=C(COCC)C(=O)NC(=O)OCC
InChIInChI=1S/C9H15NO4/c1-4-13-6-7(3)8(11)10-9(12)14-5-2/h3-6H2,1-2H3,(H,10,11,12)
InChIKeyLFHYODVEDHSLGZ-UHFFFAOYSA-N
XLogP0.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxycarbonylamino)prop-2-enoic acid;polane
CID 173396232
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-hydroxycarbamate
CID 11510
N-ethoxycarbonylcarbamothioate
CID 19787554
CID 88818502
CID 88818502
(Z)-3-ethoxy-2-(ethoxycarbonylcarbamoyl)prop-2-enoic acid
CID 118092145
ethyl N-[(Z)-2-cyano-3-hydroxyprop-2-enoyl]carbamate
CID 143550821
methyl 3-amino-2-(ethoxycarbonylcarbamoyl)but-2-enoate
CID 76557921
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
ethyl N-methylcarbamate;formaldehyde
CID 160650405
ethyl N-[2-(ethoxymethylidene)-3-oxobutanoyl]carbamate
CID 5243970
ethyl N-but-3-enoxycarbonylcarbamate
CID 15307637

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate?
The IUPAC name of ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate (CID 141383957) is ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate.
What is the SMILES notation for ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate?
The canonical SMILES for ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate is C=C(COCC)C(=O)NC(=O)OCC.
What is the InChIKey of ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate?
The InChIKey is LFHYODVEDHSLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-13-6-7(3)8(11)10-9(12)14-5-2/h3-6H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate?
ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate has a molecular weight of 201.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate is sourced from PubChem (CID 141383957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).