6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one

C10H17NO2 — CID 135212645

IUPAC6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one
SMILESCC1CC2NC(=O)COC2CC1C
InChIInChI=1S/C10H17NO2/c1-6-3-8-9(4-7(6)2)13-5-10(12)11-8/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyNDDGOVSJUAJKEZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds

About 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one

6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one (PubChem CID 135212645) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one
PubChem CID135212645
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one
SMILESCC1CC2NC(=O)COC2CC1C
InChIInChI=1S/C10H17NO2/c1-6-3-8-9(4-7(6)2)13-5-10(12)11-8/h6-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyNDDGOVSJUAJKEZ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one?
The IUPAC name of 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one (CID 135212645) is 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one.
What is the SMILES notation for 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one?
The canonical SMILES for 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one is CC1CC2NC(=O)COC2CC1C.
What is the InChIKey of 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one?
The InChIKey is NDDGOVSJUAJKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-3-8-9(4-7(6)2)13-5-10(12)11-8/h6-9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one?
6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one is sourced from PubChem (CID 135212645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).