(2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C11H13NO2 — CID 94975677

IUPAC(2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cccc2c1O[C@H](C)CC(=O)N2
InChIInChI=1S/C11H13NO2/c1-7-4-3-5-9-11(7)14-8(2)6-10(13)12-9/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyRYNMPTOQPJHQKZ-MRVPVSSYSA-N
MW191.23 g/mol
LogP2.10
Rot. Bonds

About (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

(2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 94975677) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name(2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID94975677
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cccc2c1O[C@H](C)CC(=O)N2
InChIInChI=1S/C11H13NO2/c1-7-4-3-5-9-11(7)14-8(2)6-10(13)12-9/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyRYNMPTOQPJHQKZ-MRVPVSSYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 94975677) is (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Cc1cccc2c1O[C@H](C)CC(=O)N2.
What is the InChIKey of (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is RYNMPTOQPJHQKZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-4-3-5-9-11(7)14-8(2)6-10(13)12-9/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
(2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 191.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,9-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 94975677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).