1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol

C12H21NO — CID 67020382

IUPAC1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
SMILESCCC(O)C1=CCC2CCC1CN2C
InChIInChI=1S/C12H21NO/c1-3-12(14)11-7-6-10-5-4-9(11)8-13(10)2/h7,9-10,12,14H,3-6,8H2,1-2H3
InChIKeyWXLCOAWTONQTAK-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds2

About 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol

1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol (PubChem CID 67020382) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
PubChem CID67020382
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
SMILESCCC(O)C1=CCC2CCC1CN2C
InChIInChI=1S/C12H21NO/c1-3-12(14)11-7-6-10-5-4-9(11)8-13(10)2/h7,9-10,12,14H,3-6,8H2,1-2H3
InChIKeyWXLCOAWTONQTAK-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
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 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol?
The IUPAC name of 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol (CID 67020382) is 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol.
What is the SMILES notation for 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol?
The canonical SMILES for 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol is CCC(O)C1=CCC2CCC1CN2C.
What is the InChIKey of 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol?
The InChIKey is WXLCOAWTONQTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-12(14)11-7-6-10-5-4-9(11)8-13(10)2/h7,9-10,12,14H,3-6,8H2,1-2H3.
What are the key properties of 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol?
1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol is sourced from PubChem (CID 67020382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).