3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C12H21NO — CID 171952629

IUPAC3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO/c1-3-4-7-12(14)8-10-5-6-11(9-12)13(10)2/h3,10-11,14H,1,4-9H2,2H3
InChIKeyAOIKEOIFWVVCKS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds3

About 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952629) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952629
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO/c1-3-4-7-12(14)8-10-5-6-11(9-12)13(10)2/h3,10-11,14H,1,4-9H2,2H3
InChIKeyAOIKEOIFWVVCKS-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 382572
8-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952294
8-Methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964326
3-Methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 21304868
3-Ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 57837532
1-(8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol
CID 57910935
3-Ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 59389168
3,8-Diethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 67587119
(1S,5R)-3,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 92168637
Tert-butyl 3-hydroxy-3-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 139971876
8-ethenyl-6-propyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ol
CID 164086081
(1S,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 1503687

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171952629) is 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCCC1(O)CC2CCC(C1)N2C.
What is the InChIKey of 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AOIKEOIFWVVCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-7-12(14)8-10-5-6-11(9-12)13(10)2/h3,10-11,14H,1,4-9H2,2H3.
What are the key properties of 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).