2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one

C9H16N2O3 — CID 67739586

IUPAC2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one
SMILESCNC=C(C)C(=O)O.O=C1CCCN1
InChIInChI=1S/C5H9NO2.C4H7NO/c1-4(3-6-2)5(7)8;6-4-2-1-3-5-4/h3,6H,1-2H3,(H,7,8);1-3H2,(H,5,6)
InChIKeyHRHDPOZSJIHVTA-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.09
Rot. Bonds2

About 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one

2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one (PubChem CID 67739586) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one
PubChem CID67739586
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one
SMILESCNC=C(C)C(=O)O.O=C1CCCN1
InChIInChI=1S/C5H9NO2.C4H7NO/c1-4(3-6-2)5(7)8;6-4-2-1-3-5-4/h3,6H,1-2H3,(H,7,8);1-3H2,(H,5,6)
InChIKeyHRHDPOZSJIHVTA-UHFFFAOYSA-N
XLogP0.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.09
H-Bond Donors ≤ 53
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 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one?
The IUPAC name of 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one (CID 67739586) is 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one.
What is the SMILES notation for 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one?
The canonical SMILES for 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one is CNC=C(C)C(=O)O.O=C1CCCN1.
What is the InChIKey of 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one?
The InChIKey is HRHDPOZSJIHVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C4H7NO/c1-4(3-6-2)5(7)8;6-4-2-1-3-5-4/h3,6H,1-2H3,(H,7,8);1-3H2,(H,5,6).
What are the key properties of 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one?
2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one has a molecular weight of 200.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)prop-2-enoic acid;pyrrolidin-2-one is sourced from PubChem (CID 67739586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).