(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen

C5H8N2O4 — CID 177137018

IUPAC(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
SMILESNC(=O)ON1C(=O)CCC1=O.[H][H]
InChIInChI=1S/C5H6N2O4.H2/c6-5(10)11-7-3(8)1-2-4(7)9;/h1-2H2,(H2,6,10);1H
InChIKeyVGLTUZJHYTYLBK-UHFFFAOYSA-N
MW160.13 g/mol
LogP-0.61
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen

(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen (PubChem CID 177137018) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
PubChem CID177137018
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
SMILESNC(=O)ON1C(=O)CCC1=O.[H][H]
InChIInChI=1S/C5H6N2O4.H2/c6-5(10)11-7-3(8)1-2-4(7)9;/h1-2H2,(H2,6,10);1H
InChIKeyVGLTUZJHYTYLBK-UHFFFAOYSA-N
XLogP-0.61
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) carbamimidate
CID 19742634
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate
CID 130454141
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate
CID 143366500
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen (CID 177137018) is (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen is NC(=O)ON1C(=O)CCC1=O.[H][H].
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen?
The InChIKey is VGLTUZJHYTYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4.H2/c6-5(10)11-7-3(8)1-2-4(7)9;/h1-2H2,(H2,6,10);1H.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen?
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen has a molecular weight of 160.13 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen is sourced from PubChem (CID 177137018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).