7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C14H25NO3 — CID 79183815

IUPAC7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC1CN(C2CC3(CCC2O)OCCO3)CC1C
InChIInChI=1S/C14H25NO3/c1-10-8-15(9-11(10)2)12-7-14(4-3-13(12)16)17-5-6-18-14/h10-13,16H,3-9H2,1-2H3
InChIKeyFOMCUCVXDQNYER-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.23
Rot. Bonds1

About 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol

7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 79183815) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID79183815
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC1CN(C2CC3(CCC2O)OCCO3)CC1C
InChIInChI=1S/C14H25NO3/c1-10-8-15(9-11(10)2)12-7-14(4-3-13(12)16)17-5-6-18-14/h10-13,16H,3-9H2,1-2H3
InChIKeyFOMCUCVXDQNYER-UHFFFAOYSA-N
XLogP1.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 79183815) is 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol is CC1CN(C2CC3(CCC2O)OCCO3)CC1C.
What is the InChIKey of 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is FOMCUCVXDQNYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-8-15(9-11(10)2)12-7-14(4-3-13(12)16)17-5-6-18-14/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 255.36 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 79183815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).