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

C10H17NO2 — CID 59871616

IUPAC3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one
SMILESCN1CC2(C)CCCCC2OC1=O
InChIInChI=1S/C10H17NO2/c1-10-6-4-3-5-8(10)13-9(12)11(2)7-10/h8H,3-7H2,1-2H3
InChIKeyPCSZMHBJKJIQMM-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.02
Rot. Bonds

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

3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one (PubChem CID 59871616) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one.

Molecular Properties

Compound Name3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one
PubChem CID59871616
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one
SMILESCN1CC2(C)CCCCC2OC1=O
InChIInChI=1S/C10H17NO2/c1-10-6-4-3-5-8(10)13-9(12)11(2)7-10/h8H,3-7H2,1-2H3
InChIKeyPCSZMHBJKJIQMM-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

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

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Launch Full Analysis

Related Compounds

2-Oxo-3-methyl-cis-perhydro-1,3-benzoxazine
CID 91692118
4a-methyl-4,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazin-2-one
CID 59871607
3,7,7-Trimethyl-5-(2-methylpropyl)-4,4a,5,6,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one
CID 90976163
Tert-butyl 2,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazine-1-carboxylate
CID 175095680
3-methyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one
CID 541502
(4aR,8aR)-3-methyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one
CID 12809817
(4aS,8aS)-3-butyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one
CID 101240731
3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one
CID 105466754

Frequently Asked Questions

What is the IUPAC name of 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one?
The IUPAC name of 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one (CID 59871616) is 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one.
What is the SMILES notation for 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one?
The canonical SMILES for 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one is CN1CC2(C)CCCCC2OC1=O.
What is the InChIKey of 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one?
The InChIKey is PCSZMHBJKJIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10-6-4-3-5-8(10)13-9(12)11(2)7-10/h8H,3-7H2,1-2H3.
What are the key properties of 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one?
3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][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 3,4a-dimethyl-4,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazin-2-one is sourced from PubChem (CID 59871616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).