(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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Related Compounds

(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane
CID 124710254
4-cyclopropyl-3,3-dimethylazetidin-2-one
CID 54498497
(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one
CID 98602184
(1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one
CID 10535379
1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione
CID 138463149
(1R,4R)-1-ethoxy-5-oxaspiro[3.4]octan-3-one
CID 97184545
(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one
CID 101180553
4-cyclopropyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154006136
(3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]
CID 132915639
(6S,7R,9S)-7,9-dimethyl-1-oxaspiro[5.5]undecan-11-one
CID 125452235
4-[2-(4-chlorophenyl)oxolan-2-yl]piperidine;hydrochloride
CID 10402631
3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
CID 126983039

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).