7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one

C10H11NO3 — CID 12793535

IUPAC7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
SMILESCOC1=CC=C2CCOC(=O)N2C=C1
InChIInChI=1S/C10H11NO3/c1-13-9-3-2-8-5-7-14-10(12)11(8)6-4-9/h2-4,6H,5,7H2,1H3
InChIKeyHJRFNABXOZWSQF-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.77
Rot. Bonds1

About 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one

7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one (PubChem CID 12793535) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one.

Molecular Properties

Compound Name7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
PubChem CID12793535
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
SMILESCOC1=CC=C2CCOC(=O)N2C=C1
InChIInChI=1S/C10H11NO3/c1-13-9-3-2-8-5-7-14-10(12)11(8)6-4-9/h2-4,6H,5,7H2,1H3
InChIKeyHJRFNABXOZWSQF-UHFFFAOYSA-N
XLogP1.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
CID 12793537
3,4-Dihydro-1H-[1,3]oxazino[3,4-a]azepin-1-one
CID 71421161
ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate
CID 18711316
3-(dimethylamino)propyl 6,7-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 141202629
propan-2-yl 6,7-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 141202675
ethyl 6,7-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 141202819

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The IUPAC name of 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one (CID 12793535) is 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one.
What is the SMILES notation for 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The canonical SMILES for 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one is COC1=CC=C2CCOC(=O)N2C=C1.
What is the InChIKey of 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The InChIKey is HJRFNABXOZWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-9-3-2-8-5-7-14-10(12)11(8)6-4-9/h2-4,6H,5,7H2,1H3.
What are the key properties of 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one has a molecular weight of 193.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one is sourced from PubChem (CID 12793535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).