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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Related Compounds

(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl chloride
CID 86307397
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171577098
1,7,7-trimethyl-N-[3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171722351
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoroacetate
CID 58225971
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 124853781
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 130854529
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
methyl (2S)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoate
CID 63021775
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917

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).