8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one

C9H15NO2 — CID 59871613

IUPAC8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
SMILESCC12CCCCC1COC(=O)N2
InChIInChI=1S/C9H15NO2/c1-9-5-3-2-4-7(9)6-12-8(11)10-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyICOUKGXFKVXRPA-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.68
Rot. Bonds

About 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one

8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one (PubChem CID 59871613) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one.

Molecular Properties

Compound Name8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
PubChem CID59871613
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
SMILESCC12CCCCC1COC(=O)N2
InChIInChI=1S/C9H15NO2/c1-9-5-3-2-4-7(9)6-12-8(11)10-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyICOUKGXFKVXRPA-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one with MolForge

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Related Compounds

(4S,4aR,8aS)-8a-methyl-4-propan-2-yl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
CID 15481138
(4aS,7R,8aR)-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-2-one
CID 162410546
1,8a-Dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one
CID 59871609
2-[(4S,4aR,8aR)-2-oxo-4-propan-2-yl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-8a-yl]acetonitrile
CID 11806637
3-Oxa-1-azaspiro[5.5]undecan-2-one
CID 84765609
4-Cyclohexyl-4-methyl-1,3-oxazinan-2-one
CID 105450803
4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
CID 130023939

Frequently Asked Questions

What is the IUPAC name of 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one?
The IUPAC name of 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one (CID 59871613) is 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one.
What is the SMILES notation for 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one?
The canonical SMILES for 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one is CC12CCCCC1COC(=O)N2.
What is the InChIKey of 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one?
The InChIKey is ICOUKGXFKVXRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9-5-3-2-4-7(9)6-12-8(11)10-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one?
8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one is sourced from PubChem (CID 59871613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).