3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]

C12H21NO — CID 145166296

IUPAC3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]
SMILESCCN1CCCOC12C(C)CC1CC12
InChIInChI=1S/C12H21NO/c1-3-13-5-4-6-14-12(13)9(2)7-10-8-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyMEMHNUFHLIMOMJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.10
Rot. Bonds1

About 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]

3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane] (PubChem CID 145166296) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane].

Molecular Properties

Compound Name3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]
PubChem CID145166296
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]
SMILESCCN1CCCOC12C(C)CC1CC12
InChIInChI=1S/C12H21NO/c1-3-13-5-4-6-14-12(13)9(2)7-10-8-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyMEMHNUFHLIMOMJ-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]?
The IUPAC name of 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane] (CID 145166296) is 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane].
What is the SMILES notation for 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]?
The canonical SMILES for 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane] is CCN1CCCOC12C(C)CC1CC12.
What is the InChIKey of 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]?
The InChIKey is MEMHNUFHLIMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-13-5-4-6-14-12(13)9(2)7-10-8-11(10)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane]?
3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane] has a molecular weight of 195.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3'-methylspiro[1,3-oxazinane-2,2'-bicyclo[3.1.0]hexane] is sourced from PubChem (CID 145166296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).