1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol

C17H27NO2 — CID 102899559

IUPAC1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(CC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C17H27NO2/c1-2-5-16(19)14-7-11-18(12-14)13-15-6-10-17(20-15)8-3-4-9-17/h7,11-12,15-16,19H,2-6,8-10,13H2,1H3
InChIKeyGQWKCJVRCBIYNF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.81
Rot. Bonds5

About 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol

1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol (PubChem CID 102899559) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol
PubChem CID102899559
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(CC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C17H27NO2/c1-2-5-16(19)14-7-11-18(12-14)13-15-6-10-17(20-15)8-3-4-9-17/h7,11-12,15-16,19H,2-6,8-10,13H2,1H3
InChIKeyGQWKCJVRCBIYNF-UHFFFAOYSA-N
XLogP3.81
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 102900728
1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
CID 79109993
2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 102899619
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 116523001
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 102900643
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
CID 79110104
1-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanol
CID 79107610
1-(1-but-2-enylpyrrol-3-yl)butan-1-ol
CID 79109051
N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900144
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 102899594
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457
5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol
CID 79109219

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol (CID 102899559) is 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(CC2CCC3(CCCC3)O2)c1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol?
The InChIKey is GQWKCJVRCBIYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-5-16(19)14-7-11-18(12-14)13-15-6-10-17(20-15)8-3-4-9-17/h7,11-12,15-16,19H,2-6,8-10,13H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol?
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 102899559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).