ethyl N-propanoyl-N-prop-2-enylcarbamate

C9H15NO3 — CID 19738530

IUPACethyl N-propanoyl-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)CC)C(=O)OCC
InChIInChI=1S/C9H15NO3/c1-4-7-10(8(11)5-2)9(12)13-6-3/h4H,1,5-7H2,2-3H3
InChIKeyKUOMEYZSUMHUOG-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.57
Rot. Bonds4

About ethyl N-propanoyl-N-prop-2-enylcarbamate

ethyl N-propanoyl-N-prop-2-enylcarbamate (PubChem CID 19738530) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl N-propanoyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-propanoyl-N-prop-2-enylcarbamate
PubChem CID19738530
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl N-propanoyl-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)CC)C(=O)OCC
InChIInChI=1S/C9H15NO3/c1-4-7-10(8(11)5-2)9(12)13-6-3/h4H,1,5-7H2,2-3H3
InChIKeyKUOMEYZSUMHUOG-UHFFFAOYSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-propanoyl-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-propanoyl-N-prop-2-enylcarbamate (CID 19738530) is ethyl N-propanoyl-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-propanoyl-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-propanoyl-N-prop-2-enylcarbamate is C=CCN(C(=O)CC)C(=O)OCC.
What is the InChIKey of ethyl N-propanoyl-N-prop-2-enylcarbamate?
The InChIKey is KUOMEYZSUMHUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-7-10(8(11)5-2)9(12)13-6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of ethyl N-propanoyl-N-prop-2-enylcarbamate?
ethyl N-propanoyl-N-prop-2-enylcarbamate has a molecular weight of 185.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propanoyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 19738530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).