(1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide

C12H21NO — CID 67362491

IUPAC(1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C12H21NO/c1-11(2)8-5-6-12(11,3)9(7-8)10(14)13-4/h8-9H,5-7H2,1-4H3,(H,13,14)/t8-,9-,12-/m1/s1
InChIKeyIQJLBEGXXUQGRD-KBVBSXBZSA-N
MW195.31 g/mol
LogP2.19
Rot. Bonds1

About (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 67362491) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID67362491
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C12H21NO/c1-11(2)8-5-6-12(11,3)9(7-8)10(14)13-4/h8-9H,5-7H2,1-4H3,(H,13,14)/t8-,9-,12-/m1/s1
InChIKeyIQJLBEGXXUQGRD-KBVBSXBZSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide (CID 67362491) is (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide is CNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IQJLBEGXXUQGRD-KBVBSXBZSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)8-5-6-12(11,3)9(7-8)10(14)13-4/h8-9H,5-7H2,1-4H3,(H,13,14)/t8-,9-,12-/m1/s1.
What are the key properties of (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 67362491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).