cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C17H28N2O2 — CID 110196180

IUPACcyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CC1)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C17H28N2O2/c20-16(14-3-4-14)19-10-6-17(7-11-19)13-15(5-12-21-17)18-8-1-2-9-18/h14-15H,1-13H2
InChIKeyLCEWEYJGSMTALI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.03
Rot. Bonds2

About cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110196180) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110196180
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namecyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CC1)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C17H28N2O2/c20-16(14-3-4-14)19-10-6-17(7-11-19)13-15(5-12-21-17)18-8-1-2-9-18/h14-15H,1-13H2
InChIKeyLCEWEYJGSMTALI-UHFFFAOYSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110196180) is cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is O=C(C1CC1)N1CCC2(CC1)CC(N1CCCC1)CCO2.
What is the InChIKey of cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is LCEWEYJGSMTALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16(14-3-4-14)19-10-6-17(7-11-19)13-15(5-12-21-17)18-8-1-2-9-18/h14-15H,1-13H2.
What are the key properties of cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 292.42 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110196180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).