2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one

C9H15NO3 — CID 69307540

IUPAC2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one
SMILESC=C(C)C(=O)O.CC1CCC(=O)N1
InChIInChI=1S/C5H9NO.C4H6O2/c1-4-2-3-5(7)6-4;1-3(2)4(5)6/h4H,2-3H2,1H3,(H,6,7);1H2,2H3,(H,5,6)
InChIKeyJJLVSMLZXDURQF-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.93
Rot. Bonds1

About 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one

2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one (PubChem CID 69307540) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one
PubChem CID69307540
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one
SMILESC=C(C)C(=O)O.CC1CCC(=O)N1
InChIInChI=1S/C5H9NO.C4H6O2/c1-4-2-3-5(7)6-4;1-3(2)4(5)6/h4H,2-3H2,1H3,(H,6,7);1H2,2H3,(H,5,6)
InChIKeyJJLVSMLZXDURQF-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one?
The IUPAC name of 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one (CID 69307540) is 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one.
What is the SMILES notation for 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one?
The canonical SMILES for 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one is C=C(C)C(=O)O.CC1CCC(=O)N1.
What is the InChIKey of 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one?
The InChIKey is JJLVSMLZXDURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H6O2/c1-4-2-3-5(7)6-4;1-3(2)4(5)6/h4H,2-3H2,1H3,(H,6,7);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one?
2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one is sourced from PubChem (CID 69307540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).