1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one

C17H28N2O3 — CID 24712909

IUPAC1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one
SMILESCCC(=O)N1C(C(=O)N2CCCC2)COC12CCCC(C)C2
InChIInChI=1S/C17H28N2O3/c1-3-15(20)19-14(16(21)18-9-4-5-10-18)12-22-17(19)8-6-7-13(2)11-17/h13-14H,3-12H2,1-2H3
InChIKeyMMPAWMUETMRIQC-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.15
Rot. Bonds2

About 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one

1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one (PubChem CID 24712909) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one
PubChem CID24712909
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one
SMILESCCC(=O)N1C(C(=O)N2CCCC2)COC12CCCC(C)C2
InChIInChI=1S/C17H28N2O3/c1-3-15(20)19-14(16(21)18-9-4-5-10-18)12-22-17(19)8-6-7-13(2)11-17/h13-14H,3-12H2,1-2H3
InChIKeyMMPAWMUETMRIQC-UHFFFAOYSA-N
XLogP2.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one?
The IUPAC name of 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one (CID 24712909) is 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one.
What is the SMILES notation for 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one?
The canonical SMILES for 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one is CCC(=O)N1C(C(=O)N2CCCC2)COC12CCCC(C)C2.
What is the InChIKey of 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one?
The InChIKey is MMPAWMUETMRIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-15(20)19-14(16(21)18-9-4-5-10-18)12-22-17(19)8-6-7-13(2)11-17/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one?
1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one has a molecular weight of 308.42 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one is sourced from PubChem (CID 24712909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).