[2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate

C10H15NO3 — CID 54010777

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate
SMILESC=CCN(CC=C)C(=O)COC(C)=O
InChIInChI=1S/C10H15NO3/c1-4-6-11(7-5-2)10(13)8-14-9(3)12/h4-5H,1-2,6-8H2,3H3
InChIKeyKSEHCDWRRMSDBS-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.75
Rot. Bonds6

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate (PubChem CID 54010777) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate
PubChem CID54010777
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate
SMILESC=CCN(CC=C)C(=O)COC(C)=O
InChIInChI=1S/C10H15NO3/c1-4-6-11(7-5-2)10(13)8-14-9(3)12/h4-5H,1-2,6-8H2,3H3
InChIKeyKSEHCDWRRMSDBS-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.75
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 [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate (CID 54010777) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate is C=CCN(CC=C)C(=O)COC(C)=O.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate?
The InChIKey is KSEHCDWRRMSDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-6-11(7-5-2)10(13)8-14-9(3)12/h4-5H,1-2,6-8H2,3H3.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate has a molecular weight of 197.23 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] acetate is sourced from PubChem (CID 54010777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).