ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate

C10H17NO3 — CID 154588592

IUPACethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCC)C(C)(C)C=O
InChIInChI=1S/C10H17NO3/c1-5-7-11(9(13)14-6-2)10(3,4)8-12/h5,8H,1,6-7H2,2-4H3
InChIKeyGEGUHVNGERURTG-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.61
Rot. Bonds5

About ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate

ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate (PubChem CID 154588592) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate
PubChem CID154588592
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCC)C(C)(C)C=O
InChIInChI=1S/C10H17NO3/c1-5-7-11(9(13)14-6-2)10(3,4)8-12/h5,8H,1,6-7H2,2-4H3
InChIKeyGEGUHVNGERURTG-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-fluoro-N-prop-2-enylcarbamate
CID 88867877
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate
CID 163829772
tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
CID 86714540
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
ethyl N-(ethoxycarbonylamino)-N-prop-2-enylcarbamate;hydrate
CID 141261132
ethyl N-amino-N-ethenylcarbamate
CID 174832882
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
ethyl N-methyl-N-(2-oxoethyl)carbamate
CID 126971639
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
CID 115681468

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate (CID 154588592) is ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OCC)C(C)(C)C=O.
What is the InChIKey of ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate?
The InChIKey is GEGUHVNGERURTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-7-11(9(13)14-6-2)10(3,4)8-12/h5,8H,1,6-7H2,2-4H3.
What are the key properties of ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate?
ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate has a molecular weight of 199.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 154588592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).