(2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid

C11H10N2O5 — CID 87667940

IUPAC(2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid
SMILESO=C(O)N(O)N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C11H10N2O5/c14-9-6-8(7-4-2-1-3-5-7)10(15)12(9)13(18)11(16)17/h1-5,8,18H,6H2,(H,16,17)
InChIKeyXCCRYKXKLIHNKC-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.81
Rot. Bonds2

About (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid

(2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid (PubChem CID 87667940) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid.

Molecular Properties

Compound Name(2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid
PubChem CID87667940
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name(2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid
SMILESO=C(O)N(O)N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C11H10N2O5/c14-9-6-8(7-4-2-1-3-5-7)10(15)12(9)13(18)11(16)17/h1-5,8,18H,6H2,(H,16,17)
InChIKeyXCCRYKXKLIHNKC-UHFFFAOYSA-N
XLogP0.81
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid?
The IUPAC name of (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid (CID 87667940) is (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid.
What is the SMILES notation for (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid?
The canonical SMILES for (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid is O=C(O)N(O)N1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid?
The InChIKey is XCCRYKXKLIHNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-9-6-8(7-4-2-1-3-5-7)10(15)12(9)13(18)11(16)17/h1-5,8,18H,6H2,(H,16,17).
What are the key properties of (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid?
(2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid has a molecular weight of 250.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-3-phenylpyrrolidin-1-yl)-hydroxycarbamic acid is sourced from PubChem (CID 87667940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).