7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C10H11NO2 — CID 20871808

IUPAC7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1ccc2c(c1)NC(=O)CCO2
InChIInChI=1S/C10H11NO2/c1-7-2-3-9-8(6-7)11-10(12)4-5-13-9/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyJGMDSZNMPYOGAO-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.72
Rot. Bonds

About 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 20871808) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID20871808
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1ccc2c(c1)NC(=O)CCO2
InChIInChI=1S/C10H11NO2/c1-7-2-3-9-8(6-7)11-10(12)4-5-13-9/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyJGMDSZNMPYOGAO-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 20871808) is 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Cc1ccc2c(c1)NC(=O)CCO2.
What is the InChIKey of 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is JGMDSZNMPYOGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-2-3-9-8(6-7)11-10(12)4-5-13-9/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 20871808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).