dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate

C10H10Cl2N2O6 — CID 159499892

IUPACdichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate
SMILESClCCl.O=C(OCc1cnco1)ON1C(=O)CCC1=O
InChIInChI=1S/C9H8N2O6.CH2Cl2/c12-7-1-2-8(13)11(7)17-9(14)15-4-6-3-10-5-16-6;2-1-3/h3,5H,1-2,4H2;1H2
InChIKeyLZGCYJHARFNZBJ-UHFFFAOYSA-N
MW325.10 g/mol
LogP1.81
Rot. Bonds3

About dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate

dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate (PubChem CID 159499892) has the molecular formula C10H10Cl2N2O6 and a molecular weight of 325.10 g/mol. Its IUPAC name is dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate.

Molecular Properties

Compound Namedichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate
PubChem CID159499892
Molecular FormulaC10H10Cl2N2O6
Molecular Weight325.10 g/mol
Exact Mass323.99
IUPAC Namedichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate
SMILESClCCl.O=C(OCc1cnco1)ON1C(=O)CCC1=O
InChIInChI=1S/C9H8N2O6.CH2Cl2/c12-7-1-2-8(13)11(7)17-9(14)15-4-6-3-10-5-16-6;2-1-3/h3,5H,1-2,4H2;1H2
InChIKeyLZGCYJHARFNZBJ-UHFFFAOYSA-N
XLogP1.81
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.10
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate
CID 150767969
bis(2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate
CID 162254315
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-methyl-1,3-dioxol-4-yl)methyl carbonate
CID 138749428
(4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 23577252
(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate
CID 159138690
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(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
(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 137390827

Frequently Asked Questions

What is the IUPAC name of dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate?
The IUPAC name of dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate (CID 159499892) is dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate.
What is the SMILES notation for dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate?
The canonical SMILES for dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate is ClCCl.O=C(OCc1cnco1)ON1C(=O)CCC1=O.
What is the InChIKey of dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate?
The InChIKey is LZGCYJHARFNZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O6.CH2Cl2/c12-7-1-2-8(13)11(7)17-9(14)15-4-6-3-10-5-16-6;2-1-3/h3,5H,1-2,4H2;1H2.
What are the key properties of dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate?
dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate has a molecular weight of 325.10 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate is sourced from PubChem (CID 159499892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).