1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide

C11H19NO — CID 53442813

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(C(N)=O)C2
InChIInChI=1S/C11H19NO/c1-10(2)7-4-5-11(10,3)8(6-7)9(12)13/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKeyCMYIGTUDKVWKEU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.93
Rot. Bonds1

About 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide

1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 53442813) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID53442813
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(C(N)=O)C2
InChIInChI=1S/C11H19NO/c1-10(2)7-4-5-11(10,3)8(6-7)9(12)13/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKeyCMYIGTUDKVWKEU-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide (CID 53442813) is 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide is CC1(C)C2CCC1(C)C(C(N)=O)C2.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CMYIGTUDKVWKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)7-4-5-11(10,3)8(6-7)9(12)13/h7-8H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide?
1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 53442813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).