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

C10H11NO2 — CID 12793537

IUPAC7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
SMILESCC1=CC=C2CCOC(=O)N2C=C1
InChIInChI=1S/C10H11NO2/c1-8-2-3-9-5-7-13-10(12)11(9)6-4-8/h2-4,6H,5,7H2,1H3
InChIKeyZAYIRFMQGWYSBM-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.19
Rot. Bonds

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

7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one (PubChem CID 12793537) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
PubChem CID12793537
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
SMILESCC1=CC=C2CCOC(=O)N2C=C1
InChIInChI=1S/C10H11NO2/c1-8-2-3-9-5-7-13-10(12)11(9)6-4-8/h2-4,6H,5,7H2,1H3
InChIKeyZAYIRFMQGWYSBM-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
CID 12793535
7-Tert-butyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
CID 12793536
7-Chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
CID 12793538
Ethyl 2,5-dimethylazepine-1-carboxylate
CID 21821144
3,4-Dihydro-1H-[1,3]oxazino[3,4-a]azepin-1-one
CID 71421161
Ethyl 2-propan-2-ylazepine-1-carboxylate
CID 21821812
ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
CID 13415533
(4E)-4-ethylidene-3-propan-2-yl-1,3-oxazinan-2-one
CID 132226547
ethyl 2,3-dimethyl-2H-pyridine-1-carboxylate
CID 13415531
Ethyl 2,4-dimethylazepine-1-carboxylate
CID 21821153
Ethyl 2-ethylazepine-1-carboxylate
CID 21821810
Ethyl 2-tert-butylazepine-1-carboxylate
CID 21821813

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The IUPAC name of 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one (CID 12793537) is 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one.
What is the SMILES notation for 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The canonical SMILES for 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one is CC1=CC=C2CCOC(=O)N2C=C1.
What is the InChIKey of 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The InChIKey is ZAYIRFMQGWYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8-2-3-9-5-7-13-10(12)11(9)6-4-8/h2-4,6H,5,7H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one has a molecular weight of 177.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one is sourced from PubChem (CID 12793537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).