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

C10H11NO2 — CID 143125369

IUPAC7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one
SMILESCc1ccc2c(c1)CCOC(=O)N2
InChIInChI=1S/C10H11NO2/c1-7-2-3-9-8(6-7)4-5-13-10(12)11-9/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyRLBDSXHHOOKEED-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.10
Rot. Bonds

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

7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one (PubChem CID 143125369) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one.

Molecular Properties

Compound Name7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one
PubChem CID143125369
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one
SMILESCc1ccc2c(c1)CCOC(=O)N2
InChIInChI=1S/C10H11NO2/c1-7-2-3-9-8(6-7)4-5-13-10(12)11-9/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyRLBDSXHHOOKEED-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen
CID 144928838
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 92982773
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one
CID 13370473
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772
2-(methoxymethyl)-2,6-dimethyl-3,4-dihydro-1H-quinoline
CID 117193656

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one?
The IUPAC name of 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one (CID 143125369) is 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one.
What is the SMILES notation for 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one?
The canonical SMILES for 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one is Cc1ccc2c(c1)CCOC(=O)N2.
What is the InChIKey of 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one?
The InChIKey is RLBDSXHHOOKEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-2-3-9-8(6-7)4-5-13-10(12)11-9/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one?
7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one has a molecular weight of 177.20 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 7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one is sourced from PubChem (CID 143125369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).