2-methylprop-2-enoic acid;pyrrolidin-2-one

C8H13NO3 — CID 19782926

IUPAC2-methylprop-2-enoic acid;pyrrolidin-2-one
SMILESC=C(C)C(=O)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H6O2/c6-4-2-1-3-5-4;1-3(2)4(5)6/h1-3H2,(H,5,6);1H2,2H3,(H,5,6)
InChIKeyDXCJRBVVRJYMQT-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.54
Rot. Bonds1

About 2-methylprop-2-enoic acid;pyrrolidin-2-one

2-methylprop-2-enoic acid;pyrrolidin-2-one (PubChem CID 19782926) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;pyrrolidin-2-one.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;pyrrolidin-2-one
PubChem CID19782926
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-methylprop-2-enoic acid;pyrrolidin-2-one
SMILESC=C(C)C(=O)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H6O2/c6-4-2-1-3-5-4;1-3(2)4(5)6/h1-3H2,(H,5,6);1H2,2H3,(H,5,6)
InChIKeyDXCJRBVVRJYMQT-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.54
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;pyrrolidin-2-one?
The IUPAC name of 2-methylprop-2-enoic acid;pyrrolidin-2-one (CID 19782926) is 2-methylprop-2-enoic acid;pyrrolidin-2-one.
What is the SMILES notation for 2-methylprop-2-enoic acid;pyrrolidin-2-one?
The canonical SMILES for 2-methylprop-2-enoic acid;pyrrolidin-2-one is C=C(C)C(=O)O.O=C1CCCN1.
What is the InChIKey of 2-methylprop-2-enoic acid;pyrrolidin-2-one?
The InChIKey is DXCJRBVVRJYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H6O2/c6-4-2-1-3-5-4;1-3(2)4(5)6/h1-3H2,(H,5,6);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;pyrrolidin-2-one?
2-methylprop-2-enoic acid;pyrrolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.54, 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;pyrrolidin-2-one is sourced from PubChem (CID 19782926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).