(1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one

C9H13NO2 — CID 124709838

IUPAC(1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one
SMILESO=C1N[C@H](C2CC2)[C@@]12CCCO2
InChIInChI=1S/C9H13NO2/c11-8-9(4-1-5-12-9)7(10-8)6-2-3-6/h6-7H,1-5H2,(H,10,11)/t7-,9+/m1/s1
InChIKeyPIPPXYYKUIIFFE-APPZFPTMSA-N
MW167.21 g/mol
LogP0.44
Rot. Bonds1

About (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one

(1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one (PubChem CID 124709838) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name(1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one
PubChem CID124709838
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one
SMILESO=C1N[C@H](C2CC2)[C@@]12CCCO2
InChIInChI=1S/C9H13NO2/c11-8-9(4-1-5-12-9)7(10-8)6-2-3-6/h6-7H,1-5H2,(H,10,11)/t7-,9+/m1/s1
InChIKeyPIPPXYYKUIIFFE-APPZFPTMSA-N
XLogP0.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one?
The IUPAC name of (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one (CID 124709838) is (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one is O=C1N[C@H](C2CC2)[C@@]12CCCO2.
What is the InChIKey of (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one?
The InChIKey is PIPPXYYKUIIFFE-APPZFPTMSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-9(4-1-5-12-9)7(10-8)6-2-3-6/h6-7H,1-5H2,(H,10,11)/t7-,9+/m1/s1.
What are the key properties of (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one?
(1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 124709838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).