(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide

C11H19NO — CID 98511309

IUPAC(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)[C@]1(C)C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C11H19NO/c1-11(10(13)12(2)3)7-8-4-5-9(11)6-8/h8-9H,4-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyVSBGCABVOSQXPH-FXPVBKGRSA-N
MW181.28 g/mol
LogP1.90
Rot. Bonds1

About (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98511309) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98511309
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)[C@]1(C)C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C11H19NO/c1-11(10(13)12(2)3)7-8-4-5-9(11)6-8/h8-9H,4-7H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyVSBGCABVOSQXPH-FXPVBKGRSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
CID 12537186
2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
CID 166247680
(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 21152855
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 12648920
methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
CID 134309639
1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
CID 130036822
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 24832202
1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone
CID 123180070

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide (CID 98511309) is (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide is CN(C)C(=O)[C@]1(C)C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VSBGCABVOSQXPH-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(10(13)12(2)3)7-8-4-5-9(11)6-8/h8-9H,4-7H2,1-3H3/t8-,9-,11-/m1/s1.
What are the key properties of (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98511309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).