(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid

C7H10NO8P — CID 174926925

IUPAC(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
SMILESC=CC(=O)ON1C(=O)CCC1=O.O=P(O)(O)O
InChIInChI=1S/C7H7NO4.H3O4P/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-5(2,3)4/h2H,1,3-4H2;(H3,1,2,3,4)
InChIKeyMJWGXACWYWZRBP-UHFFFAOYSA-N
MW267.13 g/mol
LogP-1.15
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid

(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid (PubChem CID 174926925) has the molecular formula C7H10NO8P and a molecular weight of 267.13 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
PubChem CID174926925
Molecular FormulaC7H10NO8P
Molecular Weight267.13 g/mol
Exact Mass267.01
IUPAC Name(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
SMILESC=CC(=O)ON1C(=O)CCC1=O.O=P(O)(O)O
InChIInChI=1S/C7H7NO4.H3O4P/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-5(2,3)4/h2H,1,3-4H2;(H3,1,2,3,4)
InChIKeyMJWGXACWYWZRBP-UHFFFAOYSA-N
XLogP-1.15
TPSA141.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-succinimidyl acrylate
CID 181508
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) prop-2-enoate
CID 53739936
1-Hydroxypyrrolidine-2,5-dione;prop-2-enoic acid
CID 66586225
1-Hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid
CID 174926926

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid (CID 174926925) is (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid is C=CC(=O)ON1C(=O)CCC1=O.O=P(O)(O)O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid?
The InChIKey is MJWGXACWYWZRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.H3O4P/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-5(2,3)4/h2H,1,3-4H2;(H3,1,2,3,4).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid?
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid has a molecular weight of 267.13 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid is sourced from PubChem (CID 174926925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).