4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide

C13H23NO — CID 59462871

IUPAC4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide
SMILESCC(C)CC12CCC(C(N)=O)(CC1)CC2
InChIInChI=1S/C13H23NO/c1-10(2)9-12-3-6-13(7-4-12,8-5-12)11(14)15/h10H,3-9H2,1-2H3,(H2,14,15)
InChIKeyYPXCBVSVLLVABV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.86
Rot. Bonds3

About 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide

4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide (PubChem CID 59462871) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide
PubChem CID59462871
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide
SMILESCC(C)CC12CCC(C(N)=O)(CC1)CC2
InChIInChI=1S/C13H23NO/c1-10(2)9-12-3-6-13(7-4-12,8-5-12)11(14)15/h10H,3-9H2,1-2H3,(H2,14,15)
InChIKeyYPXCBVSVLLVABV-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide (CID 59462871) is 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide is CC(C)CC12CCC(C(N)=O)(CC1)CC2.
What is the InChIKey of 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is YPXCBVSVLLVABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)9-12-3-6-13(7-4-12,8-5-12)11(14)15/h10H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide?
4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)bicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 59462871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).