(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate

C10H11NO5 — CID 169105698

IUPAC(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
SMILESC#CCCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11NO5/c1-2-3-4-7-15-10(14)16-11-8(12)5-6-9(11)13/h1H,3-7H2
InChIKeyBOWJZVLLKVXCJT-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.62
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate

(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate (PubChem CID 169105698) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
PubChem CID169105698
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
SMILESC#CCCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11NO5/c1-2-3-4-7-15-10(14)16-11-8(12)5-6-9(11)13/h1H,3-7H2
InChIKeyBOWJZVLLKVXCJT-UHFFFAOYSA-N
XLogP0.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
(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
(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate
CID 175366998
(2,5-dioxopyrrolidin-1-yl) 2-amino-3-hex-5-ynylsulfanylpropanoate
CID 59336588
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate
CID 122473983
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate
CID 159138690

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate (CID 169105698) is (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate is C#CCCCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate?
The InChIKey is BOWJZVLLKVXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-2-3-4-7-15-10(14)16-11-8(12)5-6-9(11)13/h1H,3-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate?
(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate has a molecular weight of 225.20 g/mol, XLogP of 0.62, 4 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) pent-4-ynyl carbonate is sourced from PubChem (CID 169105698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).