methyl 2-methylprop-2-enoate;pyrrolidin-2-one

C9H15NO3 — CID 19702429

IUPACmethyl 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=C(C)C(=O)OC.O=C1CCCN1
InChIInChI=1S/C5H8O2.C4H7NO/c1-4(2)5(6)7-3;6-4-2-1-3-5-4/h1H2,2-3H3;1-3H2,(H,5,6)
InChIKeyMCNMNAQLEGOPEF-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.63
Rot. Bonds1

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

methyl 2-methylprop-2-enoate;pyrrolidin-2-one (PubChem CID 19702429) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;pyrrolidin-2-one
PubChem CID19702429
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=C(C)C(=O)OC.O=C1CCCN1
InChIInChI=1S/C5H8O2.C4H7NO/c1-4(2)5(6)7-3;6-4-2-1-3-5-4/h1H2,2-3H3;1-3H2,(H,5,6)
InChIKeyMCNMNAQLEGOPEF-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-Acetamidopropyl methacrylate
CID 15055173
(2-Oxopyrrolidin-1-yl)methyl 2-methylprop-2-enoatato
CID 18414897
Butyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 18702438
Methylamino 2-methylprop-2-enoate;pyrrolidin-2-one
CID 19425053
2-Methylprop-2-enoic acid;pyrrolidin-2-one
CID 19782926
1-(2-Oxopyrrolidin-1-yl)ethyl 2-methylprop-2-enoate
CID 22395563
Ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 22435834
2-(Dimethylamino)ethyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 66823266
Ethyl prop-2-enoate;pyrrolidin-2-one
CID 67427827
Ethenyl prop-2-enoate;pyrrolidin-2-one
CID 68619788
Methyl prop-2-enoate;pyrrolidin-2-one
CID 68954032
Methyl 2-methyl-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 69478465

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The IUPAC name of methyl 2-methylprop-2-enoate;pyrrolidin-2-one (CID 19702429) is methyl 2-methylprop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for methyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for methyl 2-methylprop-2-enoate;pyrrolidin-2-one is C=C(C)C(=O)OC.O=C1CCCN1.
What is the InChIKey of methyl 2-methylprop-2-enoate;pyrrolidin-2-one?
The InChIKey is MCNMNAQLEGOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H7NO/c1-4(2)5(6)7-3;6-4-2-1-3-5-4/h1H2,2-3H3;1-3H2,(H,5,6).
What are the key properties of methyl 2-methylprop-2-enoate;pyrrolidin-2-one?
methyl 2-methylprop-2-enoate;pyrrolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 19702429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).