N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide

C11H19NO — CID 95397589

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H19NO/c1-7(2)11(13)12-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,12,13)/t8-,9+,10+/m0/s1
InChIKeyQUDLNWOBOZUBSO-IVZWLZJFSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds2

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide (PubChem CID 95397589) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide
PubChem CID95397589
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H19NO/c1-7(2)11(13)12-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,12,13)/t8-,9+,10+/m0/s1
InChIKeyQUDLNWOBOZUBSO-IVZWLZJFSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide (CID 95397589) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide?
The InChIKey is QUDLNWOBOZUBSO-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(2)11(13)12-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,12,13)/t8-,9+,10+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide has a molecular weight of 181.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methylpropanamide is sourced from PubChem (CID 95397589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).