(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C11H17NO2 — CID 6545332

IUPAC(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)C(=O)C2
InChIInChI=1S/C11H17NO2/c1-9(2)10(3)4-5-11(9,8(12)14)6-7(10)13/h4-6H2,1-3H3,(H2,12,14)/t10-,11-/m0/s1
InChIKeyWUMGBNKQVYHUFP-QWRGUYRKSA-N
MW195.26 g/mol
LogP1.26
Rot. Bonds1

About (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 6545332) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID6545332
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)C(=O)C2
InChIInChI=1S/C11H17NO2/c1-9(2)10(3)4-5-11(9,8(12)14)6-7(10)13/h4-6H2,1-3H3,(H2,12,14)/t10-,11-/m0/s1
InChIKeyWUMGBNKQVYHUFP-QWRGUYRKSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 6545332) is (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)C(=O)C2.
What is the InChIKey of (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is WUMGBNKQVYHUFP-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)10(3)4-5-11(9,8(12)14)6-7(10)13/h4-6H2,1-3H3,(H2,12,14)/t10-,11-/m0/s1.
What are the key properties of (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 6545332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).