5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one

C10H17NO2 — CID 147751894

IUPAC5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
SMILESCC1CCC(C)C2OC(=O)NCC12
InChIInChI=1S/C10H17NO2/c1-6-3-4-7(2)9-8(6)5-11-10(12)13-9/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyHCJABMZCWFMJAG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.78
Rot. Bonds

About 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one

5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one (PubChem CID 147751894) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one.

Molecular Properties

Compound Name5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
PubChem CID147751894
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
SMILESCC1CCC(C)C2OC(=O)NCC12
InChIInChI=1S/C10H17NO2/c1-6-3-4-7(2)9-8(6)5-11-10(12)13-9/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyHCJABMZCWFMJAG-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one with MolForge

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Related Compounds

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CID 162410546
4-(2-Methylpropyl)-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
CID 5124943

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one?
The IUPAC name of 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one (CID 147751894) is 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one.
What is the SMILES notation for 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one?
The canonical SMILES for 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one is CC1CCC(C)C2OC(=O)NCC12.
What is the InChIKey of 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one?
The InChIKey is HCJABMZCWFMJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-3-4-7(2)9-8(6)5-11-10(12)13-9/h6-9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one?
5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one is sourced from PubChem (CID 147751894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).