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

C10H17NO2 — CID 59871609

IUPAC1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one
SMILESCN1C(=O)OCC2CCCCC21C
InChIInChI=1S/C10H17NO2/c1-10-6-4-3-5-8(10)7-13-9(12)11(10)2/h8H,3-7H2,1-2H3
InChIKeySEANPWYFSYISQP-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.02
Rot. Bonds

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

1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one (PubChem CID 59871609) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one.

Molecular Properties

Compound Name1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one
PubChem CID59871609
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one
SMILESCN1C(=O)OCC2CCCCC21C
InChIInChI=1S/C10H17NO2/c1-10-6-4-3-5-8(10)7-13-9(12)11(10)2/h8H,3-7H2,1-2H3
InChIKeySEANPWYFSYISQP-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one?
The IUPAC name of 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one (CID 59871609) is 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one.
What is the SMILES notation for 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one?
The canonical SMILES for 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one is CN1C(=O)OCC2CCCCC21C.
What is the InChIKey of 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one?
The InChIKey is SEANPWYFSYISQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10-6-4-3-5-8(10)7-13-9(12)11(10)2/h8H,3-7H2,1-2H3.
What are the key properties of 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one?
1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one has a molecular weight of 183.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dimethyl-4,4a,5,6,7,8-hexahydrobenzo[d][1,3]oxazin-2-one is sourced from PubChem (CID 59871609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).