7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione

C15H16N2O3 — CID 43338771

IUPAC7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESO=C1CC(=O)Nc2cc(C(=O)C3CCCC3)ccc2N1
InChIInChI=1S/C15H16N2O3/c18-13-8-14(19)17-12-7-10(5-6-11(12)16-13)15(20)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,16,18)(H,17,19)
InChIKeyMEEDDFSZRKOKIY-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.34
Rot. Bonds2

About 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione

7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 43338771) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID43338771
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESO=C1CC(=O)Nc2cc(C(=O)C3CCCC3)ccc2N1
InChIInChI=1S/C15H16N2O3/c18-13-8-14(19)17-12-7-10(5-6-11(12)16-13)15(20)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,16,18)(H,17,19)
InChIKeyMEEDDFSZRKOKIY-UHFFFAOYSA-N
XLogP2.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
CID 65018582
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
7-(5-methyloxolane-2-carbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 81317062
6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006770
cyclopentyl(2,3-dihydro-1H-indol-5-yl)methanone
CID 39243587
6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006893
7-(cyclopropanecarbonyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231376
7-(3,3,3-trifluoropropanoyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43338769
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 43338771) is 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is O=C1CC(=O)Nc2cc(C(=O)C3CCCC3)ccc2N1.
What is the InChIKey of 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is MEEDDFSZRKOKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13-8-14(19)17-12-7-10(5-6-11(12)16-13)15(20)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,16,18)(H,17,19).
What are the key properties of 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 43338771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).