2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one

C17H30N2O2 — CID 110196179

IUPAC2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C17H30N2O2/c1-14(2)16(20)19-10-6-17(7-11-19)13-15(5-12-21-17)18-8-3-4-9-18/h14-15H,3-13H2,1-2H3
InChIKeyYOTZQBXUEZHMRJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.28
Rot. Bonds2

About 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one

2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one (PubChem CID 110196179) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
PubChem CID110196179
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C17H30N2O2/c1-14(2)16(20)19-10-6-17(7-11-19)13-15(5-12-21-17)18-8-3-4-9-18/h14-15H,3-13H2,1-2H3
InChIKeyYOTZQBXUEZHMRJ-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one (CID 110196179) is 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one is CC(C)C(=O)N1CCC2(CC1)CC(N1CCCC1)CCO2.
What is the InChIKey of 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
The InChIKey is YOTZQBXUEZHMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)16(20)19-10-6-17(7-11-19)13-15(5-12-21-17)18-8-3-4-9-18/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one?
2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one is sourced from PubChem (CID 110196179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).