7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one

C12H16N2O2 — CID 82230995

IUPAC7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1c(N)cc2c(c1C)OCCC(=O)N2C
InChIInChI=1S/C12H16N2O2/c1-7-8(2)12-10(6-9(7)13)14(3)11(15)4-5-16-12/h6H,4-5,13H2,1-3H3
InChIKeyONEWWTSNQZDXDP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.63
Rot. Bonds

About 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one

7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82230995) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82230995
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1c(N)cc2c(c1C)OCCC(=O)N2C
InChIInChI=1S/C12H16N2O2/c1-7-8(2)12-10(6-9(7)13)14(3)11(15)4-5-16-12/h6H,4-5,13H2,1-3H3
InChIKeyONEWWTSNQZDXDP-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233529
5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230318
7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82232150
8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233528
6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one
CID 82233498
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292
7-(3-amino-1,2-oxazol-5-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82483862
9-acetyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230846
8-amino-6-chloro-4-methyl-1,4-benzoxazin-3-one
CID 75355772
7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82484685
7-(1-aminopropyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82496313
7-(1-amino-2-hydroxypropan-2-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82480880

Frequently Asked Questions

What is the IUPAC name of 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82230995) is 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one is Cc1c(N)cc2c(c1C)OCCC(=O)N2C.
What is the InChIKey of 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is ONEWWTSNQZDXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-8(2)12-10(6-9(7)13)14(3)11(15)4-5-16-12/h6H,4-5,13H2,1-3H3.
What are the key properties of 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82230995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).