3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one

C13H18N2O — CID 115098560

IUPAC3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)N(C)CC(C)(C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-9-5-6-10-11(7-9)15(4)8-13(2,3)12(16)14-10/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyCJNYIBSEHWRTMR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.41
Rot. Bonds

About 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one

3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one (PubChem CID 115098560) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one
PubChem CID115098560
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)N(C)CC(C)(C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-9-5-6-10-11(7-9)15(4)8-13(2,3)12(16)14-10/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyCJNYIBSEHWRTMR-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one
CID 115099669
3,3,4,7-tetramethyl-1H-quinoxalin-2-one
CID 79291288
7-chloro-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115099890
ethane;1,4,6-trimethyl-2,3-dihydroquinoxaline
CID 91027227
5-methyl-2-oxospiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-7-carboxylic acid
CID 115100006
1',5-dimethylspiro[1H-indole-3,3'-piperidine]-2-one
CID 10220227
5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91448943
(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
CID 175639660
7-methylspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452146
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84627682
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
1,5-dimethylspiro[2H-indole-3,4'-piperidine]
CID 59466294

Frequently Asked Questions

What is the IUPAC name of 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one (CID 115098560) is 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one is Cc1ccc2c(c1)N(C)CC(C)(C)C(=O)N2.
What is the InChIKey of 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is CJNYIBSEHWRTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-5-6-10-11(7-9)15(4)8-13(2,3)12(16)14-10/h5-7H,8H2,1-4H3,(H,14,16).
What are the key properties of 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one?
3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 115098560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).