ethyl prop-2-enoate;pyrrolidin-2-one

C9H15NO3 — CID 67427827

IUPACethyl prop-2-enoate;pyrrolidin-2-one
SMILESC=CC(=O)OCC.O=C1CCCN1
InChIInChI=1S/C5H8O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h3H,1,4H2,2H3;1-3H2,(H,5,6)
InChIKeyQRJPIVHLFCLJMK-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.63
Rot. Bonds2

About ethyl prop-2-enoate;pyrrolidin-2-one

ethyl prop-2-enoate;pyrrolidin-2-one (PubChem CID 67427827) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl prop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameethyl prop-2-enoate;pyrrolidin-2-one
PubChem CID67427827
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl prop-2-enoate;pyrrolidin-2-one
SMILESC=CC(=O)OCC.O=C1CCCN1
InChIInChI=1S/C5H8O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h3H,1,4H2,2H3;1-3H2,(H,5,6)
InChIKeyQRJPIVHLFCLJMK-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(Propanoylamino)propyl prop-2-enoate
CID 15857754
4-(Propanoylamino)butyl prop-2-enoate
CID 17789548
Butyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 18702438
[3-(Butylamino)-3-oxopropyl] prop-2-enoate
CID 19040249
Methyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 19702429
Ethyl 4-(prop-2-enoylamino)butanoate
CID 22081735
1-(2-Oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 22395561
Ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 22435834
4-(Propanoylamino)butan-2-yl prop-2-enoate
CID 53779127
[3-(Ethylamino)-3-oxopropyl] prop-2-enoate
CID 57193739
(2-Oxopyrrolidin-3-yl)methyl prop-2-enoate
CID 57540429
2-(Propanoylamino)ethyl prop-2-enoate
CID 59866925

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;pyrrolidin-2-one?
The IUPAC name of ethyl prop-2-enoate;pyrrolidin-2-one (CID 67427827) is ethyl prop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for ethyl prop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for ethyl prop-2-enoate;pyrrolidin-2-one is C=CC(=O)OCC.O=C1CCCN1.
What is the InChIKey of ethyl prop-2-enoate;pyrrolidin-2-one?
The InChIKey is QRJPIVHLFCLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H7NO/c1-3-5(6)7-4-2;6-4-2-1-3-5-4/h3H,1,4H2,2H3;1-3H2,(H,5,6).
What are the key properties of ethyl prop-2-enoate;pyrrolidin-2-one?
ethyl prop-2-enoate;pyrrolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 67427827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).