(2,5-dioxopyrrolidin-1-yl) carbamimidate

C5H7N3O3 — CID 19742634

IUPAC(2,5-dioxopyrrolidin-1-yl) carbamimidate
SMILES[H]/N=C(\N)ON1C(=O)CCC1=O
InChIInChI=1S/C5H7N3O3/c6-5(7)11-8-3(9)1-2-4(8)10/h1-2H2,(H3,6,7)
InChIKeyQGJDBQYUNSLVFB-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.04
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl) carbamimidate

(2,5-dioxopyrrolidin-1-yl) carbamimidate (PubChem CID 19742634) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) carbamimidate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) carbamimidate
PubChem CID19742634
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) carbamimidate
SMILES[H]/N=C(\N)ON1C(=O)CCC1=O
InChIInChI=1S/C5H7N3O3/c6-5(7)11-8-3(9)1-2-4(8)10/h1-2H2,(H3,6,7)
InChIKeyQGJDBQYUNSLVFB-UHFFFAOYSA-N
XLogP-1.04
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
2-oxoazetidine-1-carboximidamide
CID 118484842
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide
CID 71752826
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
CID 122671324
(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate
CID 130454141
2-chloro-3-methylbutane;(2,5-dioxopyrrolidin-1-yl) 2-methylpropanoate
CID 158531615

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) carbamimidate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) carbamimidate (CID 19742634) is (2,5-dioxopyrrolidin-1-yl) carbamimidate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) carbamimidate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) carbamimidate is [H]/N=C(\N)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) carbamimidate?
The InChIKey is QGJDBQYUNSLVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-5(7)11-8-3(9)1-2-4(8)10/h1-2H2,(H3,6,7).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) carbamimidate?
(2,5-dioxopyrrolidin-1-yl) carbamimidate has a molecular weight of 157.13 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) carbamimidate is sourced from PubChem (CID 19742634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).