4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane

C15H27NO — CID 99788957

IUPAC4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane
SMILESC[C@@H](C1CC1)N1CCOC2(CCCCCC2)C1
InChIInChI=1S/C15H27NO/c1-13(14-6-7-14)16-10-11-17-15(12-16)8-4-2-3-5-9-15/h13-14H,2-12H2,1H3/t13-/m0/s1
InChIKeyHEWRNVGQHWTSPS-ZDUSSCGKSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds2

About 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane

4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane (PubChem CID 99788957) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane
PubChem CID99788957
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane
SMILESC[C@@H](C1CC1)N1CCOC2(CCCCCC2)C1
InChIInChI=1S/C15H27NO/c1-13(14-6-7-14)16-10-11-17-15(12-16)8-4-2-3-5-9-15/h13-14H,2-12H2,1H3/t13-/m0/s1
InChIKeyHEWRNVGQHWTSPS-ZDUSSCGKSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane (CID 99788957) is 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane is C[C@@H](C1CC1)N1CCOC2(CCCCCC2)C1.
What is the InChIKey of 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane?
The InChIKey is HEWRNVGQHWTSPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(14-6-7-14)16-10-11-17-15(12-16)8-4-2-3-5-9-15/h13-14H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane?
4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane has a molecular weight of 237.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-cyclopropylethyl]-1-oxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 99788957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).