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

C12H21NO — CID 171953204

IUPAC9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC/C=C\C1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C12H21NO/c1-3-7-12(14)8-10-5-4-6-11(9-12)13(10)2/h3,7,10-11,14H,4-6,8-9H2,1-2H3/b7-3-
InChIKeyYWVYISWIMKHNQH-CLTKARDFSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds1

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

9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171953204) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171953204
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC/C=C\C1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C12H21NO/c1-3-7-12(14)8-10-5-4-6-11(9-12)13(10)2/h3,7,10-11,14H,4-6,8-9H2,1-2H3/b7-3-
InChIKeyYWVYISWIMKHNQH-CLTKARDFSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171953204) is 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol is C/C=C\C1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is YWVYISWIMKHNQH-CLTKARDFSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-7-12(14)8-10-5-4-6-11(9-12)13(10)2/h3,7,10-11,14H,4-6,8-9H2,1-2H3/b7-3-.
What are the key properties of 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171953204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).