benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate

C19H15NO4 — CID 101006718

IUPACbenzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate
SMILESO=C(CN1C(=O)C=CC1=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NO4/c21-16-11-12-17(22)20(16)13-18(23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19H,13H2
InChIKeyGZVBGESLNHJGOJ-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.24
Rot. Bonds5

About benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate

benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate (PubChem CID 101006718) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate.

Molecular Properties

Compound Namebenzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate
PubChem CID101006718
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Namebenzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate
SMILESO=C(CN1C(=O)C=CC1=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NO4/c21-16-11-12-17(22)20(16)13-18(23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19H,13H2
InChIKeyGZVBGESLNHJGOJ-UHFFFAOYSA-N
XLogP2.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 18965030
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CID 3678349
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CID 19073748
benzhydryl 2-(2H-tetrazol-5-ylsulfanyl)acetate
CID 88677143
1-O-benzhydryl 3-O-tert-butyl propanedioate
CID 71746700
benzhydryl hexacosanoate
CID 23119643
benzhydryl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-sulfanylpropanoate
CID 135056243
benzhydryl 2,2-dihydroxyacetate
CID 11076121
1-(2-amino-2-phenylethyl)pyrrole-2,5-dione
CID 63120892
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl 2,2-dichloroacetate
CID 102144827

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate?
The IUPAC name of benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate (CID 101006718) is benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate.
What is the SMILES notation for benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate?
The canonical SMILES for benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate is O=C(CN1C(=O)C=CC1=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate?
The InChIKey is GZVBGESLNHJGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-16-11-12-17(22)20(16)13-18(23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19H,13H2.
What are the key properties of benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate?
benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate has a molecular weight of 321.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate is sourced from PubChem (CID 101006718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).