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

C11H17NO2 — CID 100974416

IUPACN-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@@]12CC[C@@H](C1)C(C)(C)C2=O
InChIInChI=1S/C11H17NO2/c1-7(13)12-11-5-4-8(6-11)10(2,3)9(11)14/h8H,4-6H2,1-3H3,(H,12,13)/t8-,11-/m0/s1
InChIKeyPZVLQNSIZXMJGA-KWQFWETISA-N
MW195.26 g/mol
LogP1.27
Rot. Bonds1

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

N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 100974416) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID100974416
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@@]12CC[C@@H](C1)C(C)(C)C2=O
InChIInChI=1S/C11H17NO2/c1-7(13)12-11-5-4-8(6-11)10(2,3)9(11)14/h8H,4-6H2,1-3H3,(H,12,13)/t8-,11-/m0/s1
InChIKeyPZVLQNSIZXMJGA-KWQFWETISA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide (CID 100974416) is N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide is CC(=O)N[C@@]12CC[C@@H](C1)C(C)(C)C2=O.
What is the InChIKey of N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is PZVLQNSIZXMJGA-KWQFWETISA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(13)12-11-5-4-8(6-11)10(2,3)9(11)14/h8H,4-6H2,1-3H3,(H,12,13)/t8-,11-/m0/s1.
What are the key properties of N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide?
N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 100974416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).