(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione

C11H11NO3 — CID 643298

IUPAC(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione
SMILESC[C@H]1OC(=O)c2ccccc2N(C)C1=O
InChIInChI=1S/C11H11NO3/c1-7-10(13)12(2)9-6-4-3-5-8(9)11(14)15-7/h3-7H,1-2H3/t7-/m1/s1
InChIKeyMTTSVNDVSVWABY-SSDOTTSWSA-N
MW205.21 g/mol
LogP1.21
Rot. Bonds

About (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione

(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione (PubChem CID 643298) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione
PubChem CID643298
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione
SMILESC[C@H]1OC(=O)c2ccccc2N(C)C1=O
InChIInChI=1S/C11H11NO3/c1-7-10(13)12(2)9-6-4-3-5-8(9)11(14)15-7/h3-7H,1-2H3/t7-/m1/s1
InChIKeyMTTSVNDVSVWABY-SSDOTTSWSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-methyl-4,1-benzoxazepine-2,5-dione
CID 10354602
3-bromo-1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione
CID 45024476
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
CID 79788265
(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
CID 58780288
3-amino-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 22312383
2,4-dimethyl-6-(oxiran-2-yl)-1,4-benzoxazin-3-one
CID 82472319
ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 123732001
3-ethylidene-1-methylindol-2-one
CID 85157103
1-methyl-2-thiophen-2-yl-2H-3,1-benzoxazin-4-one
CID 101409668
(3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one
CID 102297610

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione?
The IUPAC name of (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione (CID 643298) is (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione.
What is the SMILES notation for (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione?
The canonical SMILES for (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione is C[C@H]1OC(=O)c2ccccc2N(C)C1=O.
What is the InChIKey of (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione?
The InChIKey is MTTSVNDVSVWABY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-10(13)12(2)9-6-4-3-5-8(9)11(14)15-7/h3-7H,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione?
(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione has a molecular weight of 205.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione is sourced from PubChem (CID 643298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).