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

C10H12N2O2 — CID 580230

IUPAC7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCC1CC(=O)Nc2cc(N)ccc2O1
InChIInChI=1S/C10H12N2O2/c1-6-4-10(13)12-8-5-7(11)2-3-9(8)14-6/h2-3,5-6H,4,11H2,1H3,(H,12,13)
InChIKeyBPMPCQIECODXQM-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.38
Rot. Bonds

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

7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 580230) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID580230
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCC1CC(=O)Nc2cc(N)ccc2O1
InChIInChI=1S/C10H12N2O2/c1-6-4-10(13)12-8-5-7(11)2-3-9(8)14-6/h2-3,5-6H,4,11H2,1H3,(H,12,13)
InChIKeyBPMPCQIECODXQM-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenacetin
CID 4754
Bucetin
CID 14130
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
3'-Amino-4'-methoxyacetanilide
CID 80779
3'-Nitro-p-acetophenetidide
CID 15685
o-Ethoxyacetanilide
CID 11383
5'-Nitro-2'-propoxyacetanilide
CID 68377
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
4'-Allyloxyacetanilide
CID 23103
6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 6483753
p-Lactophenetide
CID 98046

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 580230) is 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is CC1CC(=O)Nc2cc(N)ccc2O1.
What is the InChIKey of 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is BPMPCQIECODXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-4-10(13)12-8-5-7(11)2-3-9(8)14-6/h2-3,5-6H,4,11H2,1H3,(H,12,13).
What are the key properties of 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 192.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 580230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).