butyl prop-2-enoate;1-ethenylpyrrolidin-2-one

C13H21NO3 — CID 21395524

IUPACbutyl prop-2-enoate;1-ethenylpyrrolidin-2-one
SMILESC=CC(=O)OCCCC.C=CN1CCCC1=O
InChIInChI=1S/C7H12O2.C6H9NO/c1-3-5-6-9-7(8)4-2;1-2-7-5-3-4-6(7)8/h4H,2-3,5-6H2,1H3;2H,1,3-5H2
InChIKeyQAHFKSWGQYBOOM-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.27
Rot. Bonds5

About butyl prop-2-enoate;1-ethenylpyrrolidin-2-one

butyl prop-2-enoate;1-ethenylpyrrolidin-2-one (PubChem CID 21395524) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is butyl prop-2-enoate;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Namebutyl prop-2-enoate;1-ethenylpyrrolidin-2-one
PubChem CID21395524
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namebutyl prop-2-enoate;1-ethenylpyrrolidin-2-one
SMILESC=CC(=O)OCCCC.C=CN1CCCC1=O
InChIInChI=1S/C7H12O2.C6H9NO/c1-3-5-6-9-7(8)4-2;1-2-7-5-3-4-6(7)8/h4H,2-3,5-6H2,1H3;2H,1,3-5H2
InChIKeyQAHFKSWGQYBOOM-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butyl methacrylate-vinylpyrrolidone copolymer
CID 168854
methyl (2E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 5385876
2-(2-Oxopyrrolidin-1-yl)ethyl Acrylate
CID 10986943
2-Propenoic acid, 3-(2-oxo-1-pyrrolidinyl)-, methyl ester, (2E)-
CID 351259
Methyl 2-methylprop-2-enoate--1-ethenylpyrrolidin-2-one (1/1)
CID 71389
Ethyl prop-2-enoate--1-ethenylpyrrolidin-2-one (1/1)
CID 168278
2-(Dimethylamino)ethyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
CID 169176
N-vinyl-2-pyrrolidinone dibutyl maleate
CID 6441621
Nvp hea
CID 68417077
Butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate
CID 170852419
1-Ethenylpyrrolidin-2-one;ethyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 170852440
1-Ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 71440

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;1-ethenylpyrrolidin-2-one?
The IUPAC name of butyl prop-2-enoate;1-ethenylpyrrolidin-2-one (CID 21395524) is butyl prop-2-enoate;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for butyl prop-2-enoate;1-ethenylpyrrolidin-2-one?
The canonical SMILES for butyl prop-2-enoate;1-ethenylpyrrolidin-2-one is C=CC(=O)OCCCC.C=CN1CCCC1=O.
What is the InChIKey of butyl prop-2-enoate;1-ethenylpyrrolidin-2-one?
The InChIKey is QAHFKSWGQYBOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C6H9NO/c1-3-5-6-9-7(8)4-2;1-2-7-5-3-4-6(7)8/h4H,2-3,5-6H2,1H3;2H,1,3-5H2.
What are the key properties of butyl prop-2-enoate;1-ethenylpyrrolidin-2-one?
butyl prop-2-enoate;1-ethenylpyrrolidin-2-one has a molecular weight of 239.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 21395524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).