methylamino 2-methylprop-2-enoate;pyrrolidin-2-one

C9H16N2O3 — CID 19425053

IUPACmethylamino 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=C(C)C(=O)ONC.O=C1CCCN1
InChIInChI=1S/C5H9NO2.C4H7NO/c1-4(2)5(7)8-6-3;6-4-2-1-3-5-4/h6H,1H2,2-3H3;1-3H2,(H,5,6)
InChIKeyDDGGBSRNSXLMLU-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.14
Rot. Bonds2

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

methylamino 2-methylprop-2-enoate;pyrrolidin-2-one (PubChem CID 19425053) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methylamino 2-methylprop-2-enoate;pyrrolidin-2-one.

Molecular Properties

Compound Namemethylamino 2-methylprop-2-enoate;pyrrolidin-2-one
PubChem CID19425053
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethylamino 2-methylprop-2-enoate;pyrrolidin-2-one
SMILESC=C(C)C(=O)ONC.O=C1CCCN1
InChIInChI=1S/C5H9NO2.C4H7NO/c1-4(2)5(7)8-6-3;6-4-2-1-3-5-4/h6H,1H2,2-3H3;1-3H2,(H,5,6)
InChIKeyDDGGBSRNSXLMLU-UHFFFAOYSA-N
XLogP0.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino 2-methylprop-2-enoate;pyrrolidin-2-one?
The IUPAC name of methylamino 2-methylprop-2-enoate;pyrrolidin-2-one (CID 19425053) is methylamino 2-methylprop-2-enoate;pyrrolidin-2-one.
What is the SMILES notation for methylamino 2-methylprop-2-enoate;pyrrolidin-2-one?
The canonical SMILES for methylamino 2-methylprop-2-enoate;pyrrolidin-2-one is C=C(C)C(=O)ONC.O=C1CCCN1.
What is the InChIKey of methylamino 2-methylprop-2-enoate;pyrrolidin-2-one?
The InChIKey is DDGGBSRNSXLMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C4H7NO/c1-4(2)5(7)8-6-3;6-4-2-1-3-5-4/h6H,1H2,2-3H3;1-3H2,(H,5,6).
What are the key properties of methylamino 2-methylprop-2-enoate;pyrrolidin-2-one?
methylamino 2-methylprop-2-enoate;pyrrolidin-2-one has a molecular weight of 200.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 2-methylprop-2-enoate;pyrrolidin-2-one is sourced from PubChem (CID 19425053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).