(1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide

C12H19NO — CID 10330238

IUPAC(1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
SMILESCN(C)C(=O)C1=CC[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C12H19NO/c1-12(2)8-5-6-9(10(12)7-8)11(14)13(3)4/h6,8,10H,5,7H2,1-4H3/t8-,10-/m1/s1
InChIKeyWDTQZFAYVHKYSU-PSASIEDQSA-N
MW193.29 g/mol
LogP2.07
Rot. Bonds1

About (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide

(1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide (PubChem CID 10330238) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
PubChem CID10330238
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
SMILESCN(C)C(=O)C1=CC[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C12H19NO/c1-12(2)8-5-6-9(10(12)7-8)11(14)13(3)4/h6,8,10H,5,7H2,1-4H3/t8-,10-/m1/s1
InChIKeyWDTQZFAYVHKYSU-PSASIEDQSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide?
The IUPAC name of (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide (CID 10330238) is (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide.
What is the SMILES notation for (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide?
The canonical SMILES for (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide is CN(C)C(=O)C1=CC[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide?
The InChIKey is WDTQZFAYVHKYSU-PSASIEDQSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2)8-5-6-9(10(12)7-8)11(14)13(3)4/h6,8,10H,5,7H2,1-4H3/t8-,10-/m1/s1.
What are the key properties of (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide?
(1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide is sourced from PubChem (CID 10330238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).