3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol

C11H19NO — CID 177162822

IUPAC3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol
SMILESCC1=CC2(CCN(C)CC2)CC1O
InChIInChI=1S/C11H19NO/c1-9-7-11(8-10(9)13)3-5-12(2)6-4-11/h7,10,13H,3-6,8H2,1-2H3
InChIKeyKHNLWACBBPXXNB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds

About 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol

3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol (PubChem CID 177162822) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol.

Molecular Properties

Compound Name3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol
PubChem CID177162822
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol
SMILESCC1=CC2(CCN(C)CC2)CC1O
InChIInChI=1S/C11H19NO/c1-9-7-11(8-10(9)13)3-5-12(2)6-4-11/h7,10,13H,3-6,8H2,1-2H3
InChIKeyKHNLWACBBPXXNB-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol?
The IUPAC name of 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol (CID 177162822) is 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol.
What is the SMILES notation for 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol?
The canonical SMILES for 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol is CC1=CC2(CCN(C)CC2)CC1O.
What is the InChIKey of 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol?
The InChIKey is KHNLWACBBPXXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-7-11(8-10(9)13)3-5-12(2)6-4-11/h7,10,13H,3-6,8H2,1-2H3.
What are the key properties of 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol?
3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-8-azaspiro[4.5]dec-3-en-2-ol is sourced from PubChem (CID 177162822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).