N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide

C12H19NO2 — CID 101125518

IUPACN-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide
SMILESCCC(=O)N[C@]12CC[C@H](C1)C(C)(C)C2=O
InChIInChI=1S/C12H19NO2/c1-4-9(14)13-12-6-5-8(7-12)11(2,3)10(12)15/h8H,4-7H2,1-3H3,(H,13,14)/t8-,12-/m1/s1
InChIKeyBDFLFNRSMUESRI-PRHODGIISA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds2

About N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide

N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide (PubChem CID 101125518) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide.

Molecular Properties

Compound NameN-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide
PubChem CID101125518
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide
SMILESCCC(=O)N[C@]12CC[C@H](C1)C(C)(C)C2=O
InChIInChI=1S/C12H19NO2/c1-4-9(14)13-12-6-5-8(7-12)11(2,3)10(12)15/h8H,4-7H2,1-3H3,(H,13,14)/t8-,12-/m1/s1
InChIKeyBDFLFNRSMUESRI-PRHODGIISA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide?
The IUPAC name of N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide (CID 101125518) is N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide.
What is the SMILES notation for N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide?
The canonical SMILES for N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide is CCC(=O)N[C@]12CC[C@H](C1)C(C)(C)C2=O.
What is the InChIKey of N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide?
The InChIKey is BDFLFNRSMUESRI-PRHODGIISA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-9(14)13-12-6-5-8(7-12)11(2,3)10(12)15/h8H,4-7H2,1-3H3,(H,13,14)/t8-,12-/m1/s1.
What are the key properties of N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide?
N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide has a molecular weight of 209.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]propanamide is sourced from PubChem (CID 101125518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).