propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate

C9H15NO3 — CID 19738492

IUPACpropan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC=O)C(=O)OC(C)C
InChIInChI=1S/C9H15NO3/c1-4-5-10(6-7-11)9(12)13-8(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyCXALIRRKTFDRSM-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.22
Rot. Bonds5

About propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate

propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate (PubChem CID 19738492) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate
PubChem CID19738492
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namepropan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC=O)C(=O)OC(C)C
InChIInChI=1S/C9H15NO3/c1-4-5-10(6-7-11)9(12)13-8(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyCXALIRRKTFDRSM-UHFFFAOYSA-N
XLogP1.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.22
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 propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate?
The IUPAC name of propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate (CID 19738492) is propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate is C=CCN(CC=O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate?
The InChIKey is CXALIRRKTFDRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-10(6-7-11)9(12)13-8(2)3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate?
propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate has a molecular weight of 185.22 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-oxoethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 19738492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).