3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide

C12H21NO — CID 13370229

IUPAC3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide
SMILESCC(C)C1(C(N)=O)CC2CCC(C2)C1
InChIInChI=1S/C12H21NO/c1-8(2)12(11(13)14)6-9-3-4-10(5-9)7-12/h8-10H,3-7H2,1-2H3,(H2,13,14)
InChIKeyZNAKEIYQYRHZRE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.32
Rot. Bonds2

About 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide

3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide (PubChem CID 13370229) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide
PubChem CID13370229
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide
SMILESCC(C)C1(C(N)=O)CC2CCC(C2)C1
InChIInChI=1S/C12H21NO/c1-8(2)12(11(13)14)6-9-3-4-10(5-9)7-12/h8-10H,3-7H2,1-2H3,(H2,13,14)
InChIKeyZNAKEIYQYRHZRE-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide (CID 13370229) is 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide is CC(C)C1(C(N)=O)CC2CCC(C2)C1.
What is the InChIKey of 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is ZNAKEIYQYRHZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)12(11(13)14)6-9-3-4-10(5-9)7-12/h8-10H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide?
3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 13370229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).