butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate

C11H17NO3 — CID 151016635

IUPACbutyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate
SMILESC=CC1CCC(=O)N1C(=O)OCCCC
InChIInChI=1S/C11H17NO3/c1-3-5-8-15-11(14)12-9(4-2)6-7-10(12)13/h4,9H,2-3,5-8H2,1H3
InChIKeyLXFCRNMQEJSXST-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.10
Rot. Bonds4

About butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate

butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 151016635) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate
PubChem CID151016635
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namebutyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate
SMILESC=CC1CCC(=O)N1C(=O)OCCCC
InChIInChI=1S/C11H17NO3/c1-3-5-8-15-11(14)12-9(4-2)6-7-10(12)13/h4,9H,2-3,5-8H2,1H3
InChIKeyLXFCRNMQEJSXST-UHFFFAOYSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
Butyl 3-oxo-2-azabicyclo(2,2,1)hept-5-ene-2-carboxylate
CID 18324625
tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 45113886
methyl 3-[(2S)-5-oxo-1-pent-4-enylpyrrolidin-2-yl]prop-2-ynoate
CID 10609800
methyl 3-[(2R)-5-oxo-1-pent-4-enylpyrrolidin-2-yl]prop-2-ynoate
CID 134918869
1-Butyl-5-ethenylpyrrolidin-2-one
CID 13847897
2-Ethenyl-5-oxo-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
CID 14977166
1-Acetyl-5-ethenylpyrrolidin-2-one
CID 19861403
3-Hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22121321
tert-butyl (2R,3R)-3-ethenyl-5-oxo-2-(tritiomethyl)pyrrolidine-1-carboxylate
CID 58134982
(4R)-3-Hex-5-enoyl-4-isopropyl-1,3-oxazolidin-2-one
CID 58923558
Pent-4-enyl 2-oxopyrrolidine-1-carboxylate
CID 89578218

Frequently Asked Questions

What is the IUPAC name of butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate (CID 151016635) is butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate is C=CC1CCC(=O)N1C(=O)OCCCC.
What is the InChIKey of butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is LXFCRNMQEJSXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-5-8-15-11(14)12-9(4-2)6-7-10(12)13/h4,9H,2-3,5-8H2,1H3.
What are the key properties of butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate?
butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 151016635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).