N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C9H16N2O — CID 1445162

IUPACN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C9H16N2O/c1-6(12)10-9-4-7-2-3-8(5-9)11-7/h7-9,11H,2-5H2,1H3,(H,10,12)/t7-,8+,9?
InChIKeyPXIUMAAABZPJDZ-JVHMLUBASA-N
MW168.24 g/mol
LogP0.41
Rot. Bonds1

About N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide

N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 1445162) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID1445162
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C9H16N2O/c1-6(12)10-9-4-7-2-3-8(5-9)11-7/h7-9,11H,2-5H2,1H3,(H,10,12)/t7-,8+,9?
InChIKeyPXIUMAAABZPJDZ-JVHMLUBASA-N
XLogP0.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 1445162) is N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CC(=O)NC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is PXIUMAAABZPJDZ-JVHMLUBASA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(12)10-9-4-7-2-3-8(5-9)11-7/h7-9,11H,2-5H2,1H3,(H,10,12)/t7-,8+,9?.
What are the key properties of N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 1445162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).