ethyl 2-methylprop-2-enoate;pyrrolidin-2-one

C10H17NO3 — CID 22435834

IUPACethyl 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=C(C)C(=O)OCC.O=C1CCCN1
InChIInChI=1S/C6H10O2.C4H7NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h2,4H2,1,3H3;1-3H2,(H,5,6)
InChIKeyJMNKPQMFLVLYIM-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds2

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

ethyl 2-methylprop-2-enoate;pyrrolidin-2-one (PubChem CID 22435834) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;pyrrolidin-2-one
PubChem CID22435834
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=C(C)C(=O)OCC.O=C1CCCN1
InChIInChI=1S/C6H10O2.C4H7NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h2,4H2,1,3H3;1-3H2,(H,5,6)
InChIKeyJMNKPQMFLVLYIM-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The IUPAC name of ethyl 2-methylprop-2-enoate;pyrrolidin-2-one (CID 22435834) is ethyl 2-methylprop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for ethyl 2-methylprop-2-enoate;pyrrolidin-2-one is C=C(C)C(=O)OCC.O=C1CCCN1.
What is the InChIKey of ethyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The InChIKey is JMNKPQMFLVLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H7NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h2,4H2,1,3H3;1-3H2,(H,5,6).
What are the key properties of ethyl 2-methylprop-2-enoate;pyrrolidin-2-one?
ethyl 2-methylprop-2-enoate;pyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 22435834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).