butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate

C19H31NO5 — CID 170852419

IUPACbutyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=CN1CCCC1=O
InChIInChI=1S/C8H14O2.C6H9NO.C5H8O2/c1-4-5-6-10-8(9)7(2)3;1-2-7-5-3-4-6(7)8;1-4(2)5(6)7-3/h2,4-6H2,1,3H3;2H,1,3-5H2;1H2,2-3H3
InChIKeyDBIVPPMAIYCZLI-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.39
Rot. Bonds6

About butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate (PubChem CID 170852419) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate
PubChem CID170852419
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Namebutyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=CN1CCCC1=O
InChIInChI=1S/C8H14O2.C6H9NO.C5H8O2/c1-4-5-6-10-8(9)7(2)3;1-2-7-5-3-4-6(7)8;1-4(2)5(6)7-3/h2,4-6H2,1,3H3;2H,1,3-5H2;1H2,2-3H3
InChIKeyDBIVPPMAIYCZLI-UHFFFAOYSA-N
XLogP3.39
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate (CID 170852419) is butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=CN1CCCC1=O.
What is the InChIKey of butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate?
The InChIKey is DBIVPPMAIYCZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H9NO.C5H8O2/c1-4-5-6-10-8(9)7(2)3;1-2-7-5-3-4-6(7)8;1-4(2)5(6)7-3/h2,4-6H2,1,3H3;2H,1,3-5H2;1H2,2-3H3.
What are the key properties of butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate has a molecular weight of 353.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 170852419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).