6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

C11H14N2O2 — CID 84620698

IUPAC6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCOc1cccc2c1N(C)C(=O)CCN2
InChIInChI=1S/C11H14N2O2/c1-13-10(14)6-7-12-8-4-3-5-9(15-2)11(8)13/h3-5,12H,6-7H2,1-2H3
InChIKeyLMTBGTXLVPAPNU-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.47
Rot. Bonds1

About 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 84620698) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID84620698
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCOc1cccc2c1N(C)C(=O)CCN2
InChIInChI=1S/C11H14N2O2/c1-13-10(14)6-7-12-8-4-3-5-9(15-2)11(8)13/h3-5,12H,6-7H2,1-2H3
InChIKeyLMTBGTXLVPAPNU-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097269
3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620814
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CID 66613515
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097947
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
1-(2,6-dimethoxyphenyl)azepan-2-one
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CID 174331197
9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
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CID 115095925

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (CID 84620698) is 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is COc1cccc2c1N(C)C(=O)CCN2.
What is the InChIKey of 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is LMTBGTXLVPAPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-10(14)6-7-12-8-4-3-5-9(15-2)11(8)13/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 84620698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).