3-ethylbicyclo[3.2.1]octane-3-carboxamide

C11H19NO — CID 13370228

IUPAC3-ethylbicyclo[3.2.1]octane-3-carboxamide
SMILESCCC1(C(N)=O)CC2CCC(C2)C1
InChIInChI=1S/C11H19NO/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKeyPEHOHEDRAIXEOC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.08
Rot. Bonds2

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

3-ethylbicyclo[3.2.1]octane-3-carboxamide (PubChem CID 13370228) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-ethylbicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name3-ethylbicyclo[3.2.1]octane-3-carboxamide
PubChem CID13370228
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-ethylbicyclo[3.2.1]octane-3-carboxamide
SMILESCCC1(C(N)=O)CC2CCC(C2)C1
InChIInChI=1S/C11H19NO/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKeyPEHOHEDRAIXEOC-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylbicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 3-ethylbicyclo[3.2.1]octane-3-carboxamide (CID 13370228) is 3-ethylbicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 3-ethylbicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 3-ethylbicyclo[3.2.1]octane-3-carboxamide is CCC1(C(N)=O)CC2CCC(C2)C1.
What is the InChIKey of 3-ethylbicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is PEHOHEDRAIXEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H2,12,13).
What are the key properties of 3-ethylbicyclo[3.2.1]octane-3-carboxamide?
3-ethylbicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 13370228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).