1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone

C14H21NO2 — CID 128861398

IUPAC1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
SMILESO=C(N1CCOCC12CCC2)C12CCCC1C2
InChIInChI=1S/C14H21NO2/c16-12(14-6-1-3-11(14)9-14)15-7-8-17-10-13(15)4-2-5-13/h11H,1-10H2
InChIKeyKFJLHJDHWIFHAK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds1

About 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone

1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone (PubChem CID 128861398) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone.

Molecular Properties

Compound Name1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
PubChem CID128861398
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
SMILESO=C(N1CCOCC12CCC2)C12CCCC1C2
InChIInChI=1S/C14H21NO2/c16-12(14-6-1-3-11(14)9-14)15-7-8-17-10-13(15)4-2-5-13/h11H,1-10H2
InChIKeyKFJLHJDHWIFHAK-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The IUPAC name of 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone (CID 128861398) is 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone.
What is the SMILES notation for 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The canonical SMILES for 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone is O=C(N1CCOCC12CCC2)C12CCCC1C2.
What is the InChIKey of 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The InChIKey is KFJLHJDHWIFHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-12(14-6-1-3-11(14)9-14)15-7-8-17-10-13(15)4-2-5-13/h11H,1-10H2.
What are the key properties of 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[3.1.0]hexanyl(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone is sourced from PubChem (CID 128861398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).