1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone

C14H21NO2 — CID 127945737

IUPAC1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone
SMILESO=C(N1CC(O)C2(CC2)C1)C12CCC(CC1)C2
InChIInChI=1S/C14H21NO2/c16-11-8-15(9-14(11)5-6-14)12(17)13-3-1-10(7-13)2-4-13/h10-11,16H,1-9H2
InChIKeyJHIDFYRUPUEMBV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.55
Rot. Bonds1

About 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone

1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone (PubChem CID 127945737) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone
PubChem CID127945737
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone
SMILESO=C(N1CC(O)C2(CC2)C1)C12CCC(CC1)C2
InChIInChI=1S/C14H21NO2/c16-11-8-15(9-14(11)5-6-14)12(17)13-3-1-10(7-13)2-4-13/h10-11,16H,1-9H2
InChIKeyJHIDFYRUPUEMBV-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone (CID 127945737) is 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone is O=C(N1CC(O)C2(CC2)C1)C12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone?
The InChIKey is JHIDFYRUPUEMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-11-8-15(9-14(11)5-6-14)12(17)13-3-1-10(7-13)2-4-13/h10-11,16H,1-9H2.
What are the key properties of 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone?
1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)methanone is sourced from PubChem (CID 127945737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).