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

C10H17NO2 — CID 130023939

IUPAC4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
SMILESCC1OC(=O)NC2(C)CCCCC12
InChIInChI=1S/C10H17NO2/c1-7-8-5-3-4-6-10(8,2)11-9(12)13-7/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyBCGKIMFSFCYHEX-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.06
Rot. Bonds

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

4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one (PubChem CID 130023939) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
PubChem CID130023939
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
SMILESCC1OC(=O)NC2(C)CCCCC12
InChIInChI=1S/C10H17NO2/c1-7-8-5-3-4-6-10(8,2)11-9(12)13-7/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyBCGKIMFSFCYHEX-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

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
(4S,4aR,8aS)-8a-(chloromethyl)-4-propan-2-yl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
CID 11075727
(4aS,7R,8aR)-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-2-one
CID 162410546
Benzo[d][1,3]-oxazin-2-one, perhydro-4-methyl-
CID 557478
8a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one
CID 59871613
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
(4R,4aS,8aS)-4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one
CID 13643525
(4S,4aS,8aS)-4-methyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazin-2-one
CID 13643526
4-Cyclohexyl-4-methyl-1,3-oxazinan-2-one
CID 105450803

Frequently Asked Questions

What is the IUPAC name of 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one?
The IUPAC name of 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one (CID 130023939) is 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one.
What is the SMILES notation for 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one?
The canonical SMILES for 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one is CC1OC(=O)NC2(C)CCCCC12.
What is the InChIKey of 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one?
The InChIKey is BCGKIMFSFCYHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-8-5-3-4-6-10(8,2)11-9(12)13-7/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one?
4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one has a molecular weight of 183.25 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-benzo[d][1,3]oxazin-2-one is sourced from PubChem (CID 130023939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).