1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone

C17H29NO3 — CID 106982197

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOC3(CCOCC3)C2)CCNC1
InChIInChI=1S/C17H29NO3/c1-13(2)17(4-7-18-12-17)15(19)14-3-8-21-16(11-14)5-9-20-10-6-16/h13-14,18H,3-12H2,1-2H3
InChIKeyFDDZGQLSNQNURU-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.17
Rot. Bonds3

About 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone

1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982197) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982197
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOC3(CCOCC3)C2)CCNC1
InChIInChI=1S/C17H29NO3/c1-13(2)17(4-7-18-12-17)15(19)14-3-8-21-16(11-14)5-9-20-10-6-16/h13-14,18H,3-12H2,1-2H3
InChIKeyFDDZGQLSNQNURU-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982197) is 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)C2CCOC3(CCOCC3)C2)CCNC1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is FDDZGQLSNQNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)17(4-7-18-12-17)15(19)14-3-8-21-16(11-14)5-9-20-10-6-16/h13-14,18H,3-12H2,1-2H3.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 295.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).