5-methylbicyclo[3.3.1]nonane-1-carboxamide

C11H19NO — CID 727239

IUPAC5-methylbicyclo[3.3.1]nonane-1-carboxamide
SMILESCC12CCCC(C(N)=O)(CCC1)C2
InChIInChI=1S/C11H19NO/c1-10-4-2-6-11(8-10,9(12)13)7-3-5-10/h2-8H2,1H3,(H2,12,13)
InChIKeyBVJUCQHGLBDEHY-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.22
Rot. Bonds1

About 5-methylbicyclo[3.3.1]nonane-1-carboxamide

5-methylbicyclo[3.3.1]nonane-1-carboxamide (PubChem CID 727239) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methylbicyclo[3.3.1]nonane-1-carboxamide.

Molecular Properties

Compound Name5-methylbicyclo[3.3.1]nonane-1-carboxamide
PubChem CID727239
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-methylbicyclo[3.3.1]nonane-1-carboxamide
SMILESCC12CCCC(C(N)=O)(CCC1)C2
InChIInChI=1S/C11H19NO/c1-10-4-2-6-11(8-10,9(12)13)7-3-5-10/h2-8H2,1H3,(H2,12,13)
InChIKeyBVJUCQHGLBDEHY-UHFFFAOYSA-N
XLogP2.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5,7-Trimethyl-1-adamantanecarboxamide
CID 2834336
5-Bromobicyclo[3.3.1]nonane-1-carboxamide
CID 2802847
N-hydroxybicyclo[3.3.1]nonane-1-carboxamide
CID 727221
Bicyclo[3.3.1]nonane-1-carboxamide
CID 727247
Bicyclo(2.2.2)octane-2-carboxamide, 2-methyl-
CID 50398
1,6-Methanonaphthalene-1(2H)-carboxamide, octahydro-
CID 516772
Cyclohexanecarboxamide, 1-methyl-
CID 164785
3,5-Dimethyladamantane-1-carboxamide
CID 2834546
5-Methylbicyclo[3.3.1]nonane-1-carbohydrazide
CID 2802845
Diethylcaprylamide
CID 87511416
Methyl-di-n-hexylacetamid
CID 87709624
1-(Cyclohexylmethyl)cyclohexane-1-carboxamide
CID 135031421

Frequently Asked Questions

What is the IUPAC name of 5-methylbicyclo[3.3.1]nonane-1-carboxamide?
The IUPAC name of 5-methylbicyclo[3.3.1]nonane-1-carboxamide (CID 727239) is 5-methylbicyclo[3.3.1]nonane-1-carboxamide.
What is the SMILES notation for 5-methylbicyclo[3.3.1]nonane-1-carboxamide?
The canonical SMILES for 5-methylbicyclo[3.3.1]nonane-1-carboxamide is CC12CCCC(C(N)=O)(CCC1)C2.
What is the InChIKey of 5-methylbicyclo[3.3.1]nonane-1-carboxamide?
The InChIKey is BVJUCQHGLBDEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10-4-2-6-11(8-10,9(12)13)7-3-5-10/h2-8H2,1H3,(H2,12,13).
What are the key properties of 5-methylbicyclo[3.3.1]nonane-1-carboxamide?
5-methylbicyclo[3.3.1]nonane-1-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbicyclo[3.3.1]nonane-1-carboxamide is sourced from PubChem (CID 727239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).