7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]

C13H23NO — CID 115824704

IUPAC7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]
SMILESCC1(C)CCC2NC3(CCCC3)COC21
InChIInChI=1S/C13H23NO/c1-12(2)8-5-10-11(12)15-9-13(14-10)6-3-4-7-13/h10-11,14H,3-9H2,1-2H3
InChIKeyICCXRZBSOBZLQE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.48
Rot. Bonds

About 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]

7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane] (PubChem CID 115824704) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane].

Molecular Properties

Compound Name7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]
PubChem CID115824704
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]
SMILESCC1(C)CCC2NC3(CCCC3)COC21
InChIInChI=1S/C13H23NO/c1-12(2)8-5-10-11(12)15-9-13(14-10)6-3-4-7-13/h10-11,14H,3-9H2,1-2H3
InChIKeyICCXRZBSOBZLQE-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]?
The IUPAC name of 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane] (CID 115824704) is 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane].
What is the SMILES notation for 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]?
The canonical SMILES for 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane] is CC1(C)CCC2NC3(CCCC3)COC21.
What is the InChIKey of 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]?
The InChIKey is ICCXRZBSOBZLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2)8-5-10-11(12)15-9-13(14-10)6-3-4-7-13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane]?
7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane] has a molecular weight of 209.33 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylspiro[2,4,4a,5,6,7a-hexahydrocyclopenta[b][1,4]oxazine-3,1'-cyclopentane] is sourced from PubChem (CID 115824704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).