2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one

C13H17NO2 — CID 82230891

IUPAC2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1cc(C)c2c(c1)N(C)C(=O)CC(C)O2
InChIInChI=1S/C13H17NO2/c1-8-5-9(2)13-11(6-8)14(4)12(15)7-10(3)16-13/h5-6,10H,7H2,1-4H3
InChIKeySNLMULOSWDHUBN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.44
Rot. Bonds

About 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one

2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82230891) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82230891
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1cc(C)c2c(c1)N(C)C(=O)CC(C)O2
InChIInChI=1S/C13H17NO2/c1-8-5-9(2)13-11(6-8)14(4)12(15)7-10(3)16-13/h5-6,10H,7H2,1-4H3
InChIKeySNLMULOSWDHUBN-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2,5,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233789
7,10-dimethyl-2,3,7,8-tetrahydro-[1,4]dioxino[2,3-h][1,5]benzoxazepin-9-one
CID 82232420
7-bromo-2,5,6,8-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82234066
2,5-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82232869
9-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233529
methyl 3-(2,6,8-trimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 69262978
N-(2,6,8-trimethyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 71390796
2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one
CID 43536410
1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623066
(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 86718009
8-bromo-4,6-dimethyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82234091
(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one
CID 52953388

Frequently Asked Questions

What is the IUPAC name of 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82230891) is 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one is Cc1cc(C)c2c(c1)N(C)C(=O)CC(C)O2.
What is the InChIKey of 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is SNLMULOSWDHUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-5-9(2)13-11(6-8)14(4)12(15)7-10(3)16-13/h5-6,10H,7H2,1-4H3.
What are the key properties of 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 219.28 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82230891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).