1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione

C19H13NO3 — CID 25269367

IUPAC1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H13NO3/c21-17-8-9-18(22)20(17)19(23)15-7-3-6-14-10-12-4-1-2-5-13(12)11-16(14)15/h1-7,10-11H,8-9H2
InChIKeyVRPANGWQRKPXPE-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.28
Rot. Bonds1

About 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione

1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione (PubChem CID 25269367) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione
PubChem CID25269367
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H13NO3/c21-17-8-9-18(22)20(17)19(23)15-7-3-6-14-10-12-4-1-2-5-13(12)11-16(14)15/h1-7,10-11H,8-9H2
InChIKeyVRPANGWQRKPXPE-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

disodium bis(anthracene-1-carboxylate)
CID 155667370
fluoro anthracene-1-carboxylate
CID 177083342
1-(2-fluorobenzoyl)piperidine-2,6-dione
CID 176734480
tert-butyl cyclohepta[f]indene-5-carboxylate
CID 154457537
1-anthracen-1-yl-4,4,4-trifluorobutane-1,3-dione
CID 87129349
4-amino-3-anthracen-1-yl-4-oxobut-2-enoic acid
CID 173302358
1-(1-phenylethenyl)anthracene
CID 18944689
2-amino-N-anthracen-1-ylbenzamide
CID 175805968
(Z)-2-anthracen-1-ylbut-2-enedioic acid;ethane-1,2-diol
CID 174360999
anthracene-1-carboxamide;pyridine-2-carboxamide
CID 87214967
anthracen-1-yl(pyrimidin-4-yl)methanone
CID 173459735
1-anthracen-1-ylethenyl 2,2-dimethylpropanoate
CID 163731973

Frequently Asked Questions

What is the IUPAC name of 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione (CID 25269367) is 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1C(=O)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione?
The InChIKey is VRPANGWQRKPXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-17-8-9-18(22)20(17)19(23)15-7-3-6-14-10-12-4-1-2-5-13(12)11-16(14)15/h1-7,10-11H,8-9H2.
What are the key properties of 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione?
1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione has a molecular weight of 303.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anthracene-1-carbonyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 25269367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).