3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol

C15H27NO3 — CID 55076029

IUPAC3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1COC2(CCCC2)O1
InChIInChI=1S/C15H27NO3/c17-10-4-6-13-5-3-9-16(13)11-14-12-18-15(19-14)7-1-2-8-15/h13-14,17H,1-12H2
InChIKeyMZZZRDVMTKTZAZ-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.91
Rot. Bonds5

About 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076029) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID55076029
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1COC2(CCCC2)O1
InChIInChI=1S/C15H27NO3/c17-10-4-6-13-5-3-9-16(13)11-14-12-18-15(19-14)7-1-2-8-15/h13-14,17H,1-12H2
InChIKeyMZZZRDVMTKTZAZ-UHFFFAOYSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol (CID 55076029) is 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC1COC2(CCCC2)O1.
What is the InChIKey of 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is MZZZRDVMTKTZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-10-4-6-13-5-3-9-16(13)11-14-12-18-15(19-14)7-1-2-8-15/h13-14,17H,1-12H2.
What are the key properties of 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).