2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate

C14H19NO6 — CID 134227320

IUPAC2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate
SMILESC=CC1C(=C=O)C1(OCC)C(=O)OCCOC(=O)NCC
InChIInChI=1S/C14H19NO6/c1-4-10-11(9-16)14(10,21-6-3)12(17)19-7-8-20-13(18)15-5-2/h4,10H,1,5-8H2,2-3H3,(H,15,18)
InChIKeyKQUMVGNEVHHARI-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.62
Rot. Bonds8

About 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate

2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate (PubChem CID 134227320) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate
PubChem CID134227320
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate
SMILESC=CC1C(=C=O)C1(OCC)C(=O)OCCOC(=O)NCC
InChIInChI=1S/C14H19NO6/c1-4-10-11(9-16)14(10,21-6-3)12(17)19-7-8-20-13(18)15-5-2/h4,10H,1,5-8H2,2-3H3,(H,15,18)
InChIKeyKQUMVGNEVHHARI-UHFFFAOYSA-N
XLogP0.62
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-O-ethyl 1-O'-[2-(ethylcarbamoyloxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
CID 134227319
[(Z)-pent-3-enyl] N-ethylcarbamate
CID 170200580
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
azane;ethyl N-ethylcarbamate
CID 88547448
2-(1-adamantyl)ethyl N-ethylcarbamate
CID 5173684
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346
5-(ethylcarbamoyloxy)-2-methylidenepentanoic acid
CID 87964264
heptyl N-prop-2-enylcarbamate
CID 123482137
2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate
CID 123807514
2-(2-methylpropylamino)ethyl N-ethylcarbamate
CID 138728445
[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl] N-ethylcarbamate
CID 87800600

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate?
The IUPAC name of 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate (CID 134227320) is 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate.
What is the SMILES notation for 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate?
The canonical SMILES for 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate is C=CC1C(=C=O)C1(OCC)C(=O)OCCOC(=O)NCC.
What is the InChIKey of 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate?
The InChIKey is KQUMVGNEVHHARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-4-10-11(9-16)14(10,21-6-3)12(17)19-7-8-20-13(18)15-5-2/h4,10H,1,5-8H2,2-3H3,(H,15,18).
What are the key properties of 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate?
2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoyloxy)ethyl 2-ethenyl-1-ethoxy-3-(oxomethylidene)cyclopropane-1-carboxylate is sourced from PubChem (CID 134227320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).