8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO — CID 171953194

IUPAC8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC/C=C\C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,6,9-10,13H,4-5,7-8H2,1-2H3/b6-3-
InChIKeySWKUBGBGMMXBTJ-UTCJRWHESA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds1

About 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171953194) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171953194
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC/C=C\C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,6,9-10,13H,4-5,7-8H2,1-2H3/b6-3-
InChIKeySWKUBGBGMMXBTJ-UTCJRWHESA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1S,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 1503687
8-Methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 4916803
(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6987598
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol
CID 10845125
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226
7-(2-methylprop-1-enyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611936
1-(2-methylprop-1-enyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886676
2-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613769
4-(Cycloocten-1-yl)-1-methylpiperidin-4-ol
CID 106650845
4-(Cyclohexen-1-yl)-1-methylpiperidin-4-ol
CID 106650846
4-(Cyclohepten-1-yl)-1-methylpiperidin-4-ol
CID 106650847

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171953194) is 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol is C/C=C\C1(O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SWKUBGBGMMXBTJ-UTCJRWHESA-N. The full InChI is InChI=1S/C11H19NO/c1-3-6-11(13)7-9-4-5-10(8-11)12(9)2/h3,6,9-10,13H,4-5,7-8H2,1-2H3/b6-3-.
What are the key properties of 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(Z)-prop-1-enyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171953194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).