(2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate

C14H19NO5 — CID 87561791

IUPAC(2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate
SMILESC=CCCC[C@@H]1C[C@@]1(C)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H19NO5/c1-3-4-5-6-10-9-14(10,2)19-13(18)20-15-11(16)7-8-12(15)17/h3,10H,1,4-9H2,2H3/t10-,14-/m1/s1
InChIKeyAXTGSSTWEHGSKW-QMTHXVAHSA-N
MW281.31 g/mol
LogP2.34
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate

(2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate (PubChem CID 87561791) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate
PubChem CID87561791
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate
SMILESC=CCCC[C@@H]1C[C@@]1(C)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H19NO5/c1-3-4-5-6-10-9-14(10,2)19-13(18)20-15-11(16)7-8-12(15)17/h3,10H,1,4-9H2,2H3/t10-,14-/m1/s1
InChIKeyAXTGSSTWEHGSKW-QMTHXVAHSA-N
XLogP2.34
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate (CID 87561791) is (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate is C=CCCC[C@@H]1C[C@@]1(C)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate?
The InChIKey is AXTGSSTWEHGSKW-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-4-5-6-10-9-14(10,2)19-13(18)20-15-11(16)7-8-12(15)17/h3,10H,1,4-9H2,2H3/t10-,14-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate?
(2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate has a molecular weight of 281.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) [(1R,2R)-1-methyl-2-pent-4-enylcyclopropyl] carbonate is sourced from PubChem (CID 87561791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).