molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione

C12H18N2O2 — CID 176993371

IUPACmolecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCC(C)c1ccc2c(c1)NC(=O)CC(=O)N2.[H][H].[H][H]
InChIInChI=1S/C12H14N2O2.2H2/c1-7(2)8-3-4-9-10(5-8)14-12(16)6-11(15)13-9;;/h3-5,7H,6H2,1-2H3,(H,13,15)(H,14,16);2*1H
InChIKeyIAGLSTBFSVQTTI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.58
Rot. Bonds1

About molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione

molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 176993371) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Namemolecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID176993371
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemolecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCC(C)c1ccc2c(c1)NC(=O)CC(=O)N2.[H][H].[H][H]
InChIInChI=1S/C12H14N2O2.2H2/c1-7(2)8-3-4-9-10(5-8)14-12(16)6-11(15)13-9;;/h3-5,7H,6H2,1-2H3,(H,13,15)(H,14,16);2*1H
InChIKeyIAGLSTBFSVQTTI-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 84618877
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 83147844
2,8-di(propan-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 59610696
7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114753375
7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61085972
7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43483117
7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61086743
7-[amino(furan-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43464418
3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 84627160
6-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 169049710
7-[hydroxy-(3-methylthiophen-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61089554

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 176993371) is molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione is CC(C)c1ccc2c(c1)NC(=O)CC(=O)N2.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is IAGLSTBFSVQTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.2H2/c1-7(2)8-3-4-9-10(5-8)14-12(16)6-11(15)13-9;;/h3-5,7H,6H2,1-2H3,(H,13,15)(H,14,16);2*1H.
What are the key properties of molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 176993371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).