3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol

C16H29NO2 — CID 102900036

IUPAC3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H29NO2/c18-12-4-6-14-5-3-11-17(14)13-15-7-10-16(19-15)8-1-2-9-16/h14-15,18H,1-13H2
InChIKeyONWALRPGJDIIKU-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.72
Rot. Bonds5

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

3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 102900036) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID102900036
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H29NO2/c18-12-4-6-14-5-3-11-17(14)13-15-7-10-16(19-15)8-1-2-9-16/h14-15,18H,1-13H2
InChIKeyONWALRPGJDIIKU-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol (CID 102900036) is 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ONWALRPGJDIIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-12-4-6-14-5-3-11-17(14)13-15-7-10-16(19-15)8-1-2-9-16/h14-15,18H,1-13H2.
What are the key properties of 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 267.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 102900036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).