8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

C11H14N2O2 — CID 83218286

IUPAC8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
SMILESCOc1ccc2c(c1)NCC(C)NC2=O
InChIInChI=1S/C11H14N2O2/c1-7-6-12-10-5-8(15-2)3-4-9(10)11(14)13-7/h3-5,7,12H,6H2,1-2H3,(H,13,14)
InChIKeySTRZPBZAODWFBH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.24
Rot. Bonds1

About 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one (PubChem CID 83218286) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one.

Molecular Properties

Compound Name8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
PubChem CID83218286
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
SMILESCOc1ccc2c(c1)NCC(C)NC2=O
InChIInChI=1S/C11H14N2O2/c1-7-6-12-10-5-8(15-2)3-4-9(10)11(14)13-7/h3-5,7,12H,6H2,1-2H3,(H,13,14)
InChIKeySTRZPBZAODWFBH-UHFFFAOYSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217347
8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654802
(3S)-8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654800
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 66651136
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 131887871
7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
CID 82278075
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione
CID 87090554
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione
CID 22992707

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one?
The IUPAC name of 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one (CID 83218286) is 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one.
What is the SMILES notation for 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one?
The canonical SMILES for 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one is COc1ccc2c(c1)NCC(C)NC2=O.
What is the InChIKey of 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one?
The InChIKey is STRZPBZAODWFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-6-12-10-5-8(15-2)3-4-9(10)11(14)13-7/h3-5,7,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one?
8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one has a molecular weight of 206.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one is sourced from PubChem (CID 83218286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).