bicyclo[3.3.1]nonane-1-carboxamide

C10H17NO — CID 727247

IUPACbicyclo[3.3.1]nonane-1-carboxamide
SMILESNC(=O)C12CCCC(CCC1)C2
InChIInChI=1S/C10H17NO/c11-9(12)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7H2,(H2,11,12)
InChIKeyWWUUCPQLPWUUNO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.83
Rot. Bonds1

About bicyclo[3.3.1]nonane-1-carboxamide

bicyclo[3.3.1]nonane-1-carboxamide (PubChem CID 727247) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is bicyclo[3.3.1]nonane-1-carboxamide.

Molecular Properties

Compound Namebicyclo[3.3.1]nonane-1-carboxamide
PubChem CID727247
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namebicyclo[3.3.1]nonane-1-carboxamide
SMILESNC(=O)C12CCCC(CCC1)C2
InChIInChI=1S/C10H17NO/c11-9(12)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7H2,(H2,11,12)
InChIKeyWWUUCPQLPWUUNO-UHFFFAOYSA-N
XLogP1.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.1]nonane-1-carboxamide?
The IUPAC name of bicyclo[3.3.1]nonane-1-carboxamide (CID 727247) is bicyclo[3.3.1]nonane-1-carboxamide.
What is the SMILES notation for bicyclo[3.3.1]nonane-1-carboxamide?
The canonical SMILES for bicyclo[3.3.1]nonane-1-carboxamide is NC(=O)C12CCCC(CCC1)C2.
What is the InChIKey of bicyclo[3.3.1]nonane-1-carboxamide?
The InChIKey is WWUUCPQLPWUUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-9(12)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7H2,(H2,11,12).
What are the key properties of bicyclo[3.3.1]nonane-1-carboxamide?
bicyclo[3.3.1]nonane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]nonane-1-carboxamide is sourced from PubChem (CID 727247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).