[(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

C15H23NO2 — CID 128503941

IUPAC[(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESO=C([C@H]1C[C@@H]1C1CC1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C15H23NO2/c17-14(13-9-12(13)11-1-2-11)16-6-3-15(10-16)4-7-18-8-5-15/h11-13H,1-10H2/t12-,13+/m1/s1
InChIKeyJBLINFADNSMWPV-OLZOCXBDSA-N
MW249.35 g/mol
LogP2.06
Rot. Bonds2

About [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

[(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (PubChem CID 128503941) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name[(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
PubChem CID128503941
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESO=C([C@H]1C[C@@H]1C1CC1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C15H23NO2/c17-14(13-9-12(13)11-1-2-11)16-6-3-15(10-16)4-7-18-8-5-15/h11-13H,1-10H2/t12-,13+/m1/s1
InChIKeyJBLINFADNSMWPV-OLZOCXBDSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (CID 128503941) is [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is O=C([C@H]1C[C@@H]1C1CC1)N1CCC2(CCOCC2)C1.
What is the InChIKey of [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The InChIKey is JBLINFADNSMWPV-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23NO2/c17-14(13-9-12(13)11-1-2-11)16-6-3-15(10-16)4-7-18-8-5-15/h11-13H,1-10H2/t12-,13+/m1/s1.
What are the key properties of [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
[(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone has a molecular weight of 249.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-cyclopropylcyclopropyl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 128503941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).