3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol

C23H37NO3 — CID 19390013

IUPAC3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol
SMILESOC1(Cc2ccoc2)CCC2(CCC(COCCN3CCCC3)CC2)CC1
InChIInChI=1S/C23H37NO3/c25-23(17-21-5-15-26-19-21)10-8-22(9-11-23)6-3-20(4-7-22)18-27-16-14-24-12-1-2-13-24/h5,15,19-20,25H,1-4,6-14,16-18H2
InChIKeyRZMBDDBSIFOKSV-UHFFFAOYSA-N
MW375.55 g/mol
LogP4.42
Rot. Bonds7

About 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol

3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol (PubChem CID 19390013) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol.

Molecular Properties

Compound Name3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol
PubChem CID19390013
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Name3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol
SMILESOC1(Cc2ccoc2)CCC2(CCC(COCCN3CCCC3)CC2)CC1
InChIInChI=1S/C23H37NO3/c25-23(17-21-5-15-26-19-21)10-8-22(9-11-23)6-3-20(4-7-22)18-27-16-14-24-12-1-2-13-24/h5,15,19-20,25H,1-4,6-14,16-18H2
InChIKeyRZMBDDBSIFOKSV-UHFFFAOYSA-N
XLogP4.42
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol?
The IUPAC name of 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol (CID 19390013) is 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol.
What is the SMILES notation for 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol?
The canonical SMILES for 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol is OC1(Cc2ccoc2)CCC2(CCC(COCCN3CCCC3)CC2)CC1.
What is the InChIKey of 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol?
The InChIKey is RZMBDDBSIFOKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c25-23(17-21-5-15-26-19-21)10-8-22(9-11-23)6-3-20(4-7-22)18-27-16-14-24-12-1-2-13-24/h5,15,19-20,25H,1-4,6-14,16-18H2.
What are the key properties of 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol?
3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol has a molecular weight of 375.55 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethyl)-9-(2-pyrrolidin-1-ylethoxymethyl)spiro[5.5]undecan-3-ol is sourced from PubChem (CID 19390013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).