9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol

C18H25NO — CID 171953205

IUPAC9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC/C=C\C1(O)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C18H25NO/c1-2-11-18(20)12-16-9-6-10-17(13-18)19(16)14-15-7-4-3-5-8-15/h2-5,7-8,11,16-17,20H,6,9-10,12-14H2,1H3/b11-2-
InChIKeyVLWQURGGJOEXEF-FUQNDXKWSA-N
MW271.40 g/mol
LogP3.51
Rot. Bonds3

About 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171953205) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171953205
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC/C=C\C1(O)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C18H25NO/c1-2-11-18(20)12-16-9-6-10-17(13-18)19(16)14-15-7-4-3-5-8-15/h2-5,7-8,11,16-17,20H,6,9-10,12-14H2,1H3/b11-2-
InChIKeyVLWQURGGJOEXEF-FUQNDXKWSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.51
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

9-benzyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952834
9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964952
3-amino-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936432
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
9-benzyl-3-(4-methoxybutyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952059
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957410
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171953205) is 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol is C/C=C\C1(O)CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is VLWQURGGJOEXEF-FUQNDXKWSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-11-18(20)12-16-9-6-10-17(13-18)19(16)14-15-7-4-3-5-8-15/h2-5,7-8,11,16-17,20H,6,9-10,12-14H2,1H3/b11-2-.
What are the key properties of 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 271.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171953205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).