1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione

C16H20N2O2 — CID 82937150

IUPAC1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione
SMILESCC1(C)NC(=O)c2ccccc2N(C2CCCC2)C1=O
InChIInChI=1S/C16H20N2O2/c1-16(2)15(20)18(11-7-3-4-8-11)13-10-6-5-9-12(13)14(19)17-16/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyDORTWYBNPBAXRF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds1

About 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione

1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione (PubChem CID 82937150) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione
PubChem CID82937150
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione
SMILESCC1(C)NC(=O)c2ccccc2N(C2CCCC2)C1=O
InChIInChI=1S/C16H20N2O2/c1-16(2)15(20)18(11-7-3-4-8-11)13-10-6-5-9-12(13)14(19)17-16/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyDORTWYBNPBAXRF-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione (CID 82937150) is 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione is CC1(C)NC(=O)c2ccccc2N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione?
The InChIKey is DORTWYBNPBAXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2)15(20)18(11-7-3-4-8-11)13-10-6-5-9-12(13)14(19)17-16/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione?
1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 82937150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).