1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid

C10H15NO3 — CID 22610349

IUPAC1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H6O2/c1-2-7-5-3-4-6(7)8;1-3(2)4(5)6/h2H,1,3-5H2;1H2,2H3,(H,5,6)
InChIKeyBHAYFXKTLWGHHO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.40
Rot. Bonds2

About 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid

1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid (PubChem CID 22610349) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid
PubChem CID22610349
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H6O2/c1-2-7-5-3-4-6(7)8;1-3(2)4(5)6/h2H,1,3-5H2;1H2,2H3,(H,5,6)
InChIKeyBHAYFXKTLWGHHO-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
CID 174989459
1,1-dichloroethene;1-ethenylpyrrolidin-2-one
CID 19798230
tert-butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
CID 174397368
1-ethenylpyrrolidin-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 70559342
1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid
CID 70369148
1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
CID 22992740
1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide
CID 66617082
azane;ethenyl acetate;1-ethenylpyrrolidin-2-one
CID 172909616
1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid
CID 159023833
2-(aminomethylidene)-3-methylbutanoic acid;1-ethenylpyrrolidin-2-one
CID 69224143
but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one
CID 69016110
but-3-en-2-one;1-ethenylpyrrolidin-2-one;prop-1-ene;styrene
CID 163871820

Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid?
The IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid (CID 22610349) is 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid?
The InChIKey is BHAYFXKTLWGHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H6O2/c1-2-7-5-3-4-6(7)8;1-3(2)4(5)6/h2H,1,3-5H2;1H2,2H3,(H,5,6).
What are the key properties of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid?
1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid is sourced from PubChem (CID 22610349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).