methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one

C10H17NO3 — CID 172712369

IUPACmethyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one
SMILESC=C(C)C(=O)OC.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C5H8O2/c1-6-4-2-3-5(6)7;1-4(2)5(6)7-3/h2-4H2,1H3;1H2,2-3H3
InChIKeyFKLJWNGQVUGSOM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds1

About methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one

methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one (PubChem CID 172712369) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one
PubChem CID172712369
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one
SMILESC=C(C)C(=O)OC.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C5H8O2/c1-6-4-2-3-5(6)7;1-4(2)5(6)7-3/h2-4H2,1H3;1H2,2-3H3
InChIKeyFKLJWNGQVUGSOM-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
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 methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one?
The IUPAC name of methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one (CID 172712369) is methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one.
What is the SMILES notation for methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one?
The canonical SMILES for methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one is C=C(C)C(=O)OC.CN1CCCC1=O.
What is the InChIKey of methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one?
The InChIKey is FKLJWNGQVUGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C5H8O2/c1-6-4-2-3-5(6)7;1-4(2)5(6)7-3/h2-4H2,1H3;1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one?
methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one is sourced from PubChem (CID 172712369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).