1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone

C9H13NO2 — CID 171785782

IUPAC1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone
SMILESO=C(N1CCOCC1)C12CC1C2
InChIInChI=1S/C9H13NO2/c11-8(9-5-7(9)6-9)10-1-3-12-4-2-10/h7H,1-6H2
InChIKeyWKTQFBDCWGZMLF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.26
Rot. Bonds1

About 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone

1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone (PubChem CID 171785782) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone
PubChem CID171785782
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone
SMILESO=C(N1CCOCC1)C12CC1C2
InChIInChI=1S/C9H13NO2/c11-8(9-5-7(9)6-9)10-1-3-12-4-2-10/h7H,1-6H2
InChIKeyWKTQFBDCWGZMLF-UHFFFAOYSA-N
XLogP0.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone?
The IUPAC name of 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone (CID 171785782) is 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone.
What is the SMILES notation for 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone?
The canonical SMILES for 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone is O=C(N1CCOCC1)C12CC1C2.
What is the InChIKey of 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone?
The InChIKey is WKTQFBDCWGZMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8(9-5-7(9)6-9)10-1-3-12-4-2-10/h7H,1-6H2.
What are the key properties of 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone?
1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone has a molecular weight of 167.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone is sourced from PubChem (CID 171785782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).