ethyl N-formyl-N-prop-2-enylcarbamate

C7H11NO3 — CID 18511890

IUPACethyl N-formyl-N-prop-2-enylcarbamate
SMILESC=CCN(C=O)C(=O)OCC
InChIInChI=1S/C7H11NO3/c1-3-5-8(6-9)7(10)11-4-2/h3,6H,1,4-5H2,2H3
InChIKeyCYQBKYHQDZJZNE-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.79
Rot. Bonds4

About ethyl N-formyl-N-prop-2-enylcarbamate

ethyl N-formyl-N-prop-2-enylcarbamate (PubChem CID 18511890) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl N-formyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-formyl-N-prop-2-enylcarbamate
PubChem CID18511890
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethyl N-formyl-N-prop-2-enylcarbamate
SMILESC=CCN(C=O)C(=O)OCC
InChIInChI=1S/C7H11NO3/c1-3-5-8(6-9)7(10)11-4-2/h3,6H,1,4-5H2,2H3
InChIKeyCYQBKYHQDZJZNE-UHFFFAOYSA-N
XLogP0.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of ethyl N-formyl-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-formyl-N-prop-2-enylcarbamate (CID 18511890) is ethyl N-formyl-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-formyl-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-formyl-N-prop-2-enylcarbamate is C=CCN(C=O)C(=O)OCC.
What is the InChIKey of ethyl N-formyl-N-prop-2-enylcarbamate?
The InChIKey is CYQBKYHQDZJZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-5-8(6-9)7(10)11-4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of ethyl N-formyl-N-prop-2-enylcarbamate?
ethyl N-formyl-N-prop-2-enylcarbamate has a molecular weight of 157.17 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-formyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 18511890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).