(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol

C7H11NO7 — CID 87408657

IUPAC(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
SMILESO=C(O)ON1C(=O)CCC1=O.OCCO
InChIInChI=1S/C5H5NO5.C2H6O2/c7-3-1-2-4(8)6(3)11-5(9)10;3-1-2-4/h1-2H2,(H,9,10);3-4H,1-2H2
InChIKeyVQGZJDPQBLSLSZ-UHFFFAOYSA-N
MW221.16 g/mol
LogP-1.28
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol

(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol (PubChem CID 87408657) has the molecular formula C7H11NO7 and a molecular weight of 221.16 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
PubChem CID87408657
Molecular FormulaC7H11NO7
Molecular Weight221.16 g/mol
Exact Mass221.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
SMILESO=C(O)ON1C(=O)CCC1=O.OCCO
InChIInChI=1S/C5H5NO5.C2H6O2/c7-3-1-2-4(8)6(3)11-5(9)10;3-1-2-4/h1-2H2,(H,9,10);3-4H,1-2H2
InChIKeyVQGZJDPQBLSLSZ-UHFFFAOYSA-N
XLogP-1.28
TPSA124.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane
CID 142807092
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate
CID 175504057
2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate
CID 143571418
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate
CID 130454141
5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate
CID 87746221

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol (CID 87408657) is (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol is O=C(O)ON1C(=O)CCC1=O.OCCO.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol?
The InChIKey is VQGZJDPQBLSLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO5.C2H6O2/c7-3-1-2-4(8)6(3)11-5(9)10;3-1-2-4/h1-2H2,(H,9,10);3-4H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol?
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol has a molecular weight of 221.16 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol is sourced from PubChem (CID 87408657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).