3-anilino-1-cycloheptylpyrrolidine-2,5-dione

C17H22N2O2 — CID 43637260

IUPAC3-anilino-1-cycloheptylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C17H22N2O2/c20-16-12-15(18-13-8-4-3-5-9-13)17(21)19(16)14-10-6-1-2-7-11-14/h3-5,8-9,14-15,18H,1-2,6-7,10-12H2
InChIKeyKVHAEOBEATXZHK-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.95
Rot. Bonds3

About 3-anilino-1-cycloheptylpyrrolidine-2,5-dione

3-anilino-1-cycloheptylpyrrolidine-2,5-dione (PubChem CID 43637260) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-anilino-1-cycloheptylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-cycloheptylpyrrolidine-2,5-dione
PubChem CID43637260
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-anilino-1-cycloheptylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C17H22N2O2/c20-16-12-15(18-13-8-4-3-5-9-13)17(21)19(16)14-10-6-1-2-7-11-14/h3-5,8-9,14-15,18H,1-2,6-7,10-12H2
InChIKeyKVHAEOBEATXZHK-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
CID 43637410
(3R)-1-cyclopentyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 7456009
(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
CID 25349483
4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637380
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione
CID 62903654
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-cyclohexylpyrrolidine-2,5-dione
CID 7456103
1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
CID 43637603
1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
CID 66349722
(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51454371
(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione
CID 51453721

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-cycloheptylpyrrolidine-2,5-dione?
The IUPAC name of 3-anilino-1-cycloheptylpyrrolidine-2,5-dione (CID 43637260) is 3-anilino-1-cycloheptylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-anilino-1-cycloheptylpyrrolidine-2,5-dione?
The canonical SMILES for 3-anilino-1-cycloheptylpyrrolidine-2,5-dione is O=C1CC(Nc2ccccc2)C(=O)N1C1CCCCCC1.
What is the InChIKey of 3-anilino-1-cycloheptylpyrrolidine-2,5-dione?
The InChIKey is KVHAEOBEATXZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-12-15(18-13-8-4-3-5-9-13)17(21)19(16)14-10-6-1-2-7-11-14/h3-5,8-9,14-15,18H,1-2,6-7,10-12H2.
What are the key properties of 3-anilino-1-cycloheptylpyrrolidine-2,5-dione?
3-anilino-1-cycloheptylpyrrolidine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-cycloheptylpyrrolidine-2,5-dione is sourced from PubChem (CID 43637260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).