(2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate

C12H17NO4 — CID 155073311

IUPAC(2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate
SMILESC=C1CCC(=O)N1OC(=O)OCC/C(C)=C/C
InChIInChI=1S/C12H17NO4/c1-4-9(2)7-8-16-12(15)17-13-10(3)5-6-11(13)14/h4H,3,5-8H2,1-2H3/b9-4+
InChIKeyJZHVLGRAJNZGAO-RUDMXATFSA-N
MW239.27 g/mol
LogP2.55
Rot. Bonds4

About (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate

(2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate (PubChem CID 155073311) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate.

Molecular Properties

Compound Name(2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate
PubChem CID155073311
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate
SMILESC=C1CCC(=O)N1OC(=O)OCC/C(C)=C/C
InChIInChI=1S/C12H17NO4/c1-4-9(2)7-8-16-12(15)17-13-10(3)5-6-11(13)14/h4H,3,5-8H2,1-2H3/b9-4+
InChIKeyJZHVLGRAJNZGAO-RUDMXATFSA-N
XLogP2.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
(2-methylidene-5-oxopyrrolidin-1-yl) 3-propylsulfanylpropanoate
CID 154964233
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate
CID 175366998
(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
CID 169105698
9-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-methylidene-5-oxopyrrolidin-1-yl) (2R)-2-methyl-4-oxononanedioate
CID 147591810
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate?
The IUPAC name of (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate (CID 155073311) is (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate.
What is the SMILES notation for (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate?
The canonical SMILES for (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate is C=C1CCC(=O)N1OC(=O)OCC/C(C)=C/C.
What is the InChIKey of (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate?
The InChIKey is JZHVLGRAJNZGAO-RUDMXATFSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-9(2)7-8-16-12(15)17-13-10(3)5-6-11(13)14/h4H,3,5-8H2,1-2H3/b9-4+.
What are the key properties of (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate?
(2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate has a molecular weight of 239.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-5-oxopyrrolidin-1-yl) [(E)-3-methylpent-3-enyl] carbonate is sourced from PubChem (CID 155073311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).