3-methylbicyclo[3.2.1]octane-3-carboxamide

C10H17NO — CID 3086419

IUPAC3-methylbicyclo[3.2.1]octane-3-carboxamide
SMILESCC1(C(N)=O)CC2CCC(C2)C1
InChIInChI=1S/C10H17NO/c1-10(9(11)12)5-7-2-3-8(4-7)6-10/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyCLUZEQJDEXSBNY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.69
Rot. Bonds1

About 3-methylbicyclo[3.2.1]octane-3-carboxamide

3-methylbicyclo[3.2.1]octane-3-carboxamide (PubChem CID 3086419) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methylbicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name3-methylbicyclo[3.2.1]octane-3-carboxamide
PubChem CID3086419
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methylbicyclo[3.2.1]octane-3-carboxamide
SMILESCC1(C(N)=O)CC2CCC(C2)C1
InChIInChI=1S/C10H17NO/c1-10(9(11)12)5-7-2-3-8(4-7)6-10/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyCLUZEQJDEXSBNY-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 3-methylbicyclo[3.2.1]octane-3-carboxamide (CID 3086419) is 3-methylbicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 3-methylbicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 3-methylbicyclo[3.2.1]octane-3-carboxamide is CC1(C(N)=O)CC2CCC(C2)C1.
What is the InChIKey of 3-methylbicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is CLUZEQJDEXSBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(9(11)12)5-7-2-3-8(4-7)6-10/h7-8H,2-6H2,1H3,(H2,11,12).
What are the key properties of 3-methylbicyclo[3.2.1]octane-3-carboxamide?
3-methylbicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 3086419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).