1-(1-methylpyrrol-3-yl)propane-1,3-diol

C8H13NO2 — CID 82280202

IUPAC1-(1-methylpyrrol-3-yl)propane-1,3-diol
SMILESCn1ccc(C(O)CCO)c1
InChIInChI=1S/C8H13NO2/c1-9-4-2-7(6-9)8(11)3-5-10/h2,4,6,8,10-11H,3,5H2,1H3
InChIKeyZLIGRBZIADLRDA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds3

About 1-(1-methylpyrrol-3-yl)propane-1,3-diol

1-(1-methylpyrrol-3-yl)propane-1,3-diol (PubChem CID 82280202) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)propane-1,3-diol.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)propane-1,3-diol
PubChem CID82280202
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(1-methylpyrrol-3-yl)propane-1,3-diol
SMILESCn1ccc(C(O)CCO)c1
InChIInChI=1S/C8H13NO2/c1-9-4-2-7(6-9)8(11)3-5-10/h2,4,6,8,10-11H,3,5H2,1H3
InChIKeyZLIGRBZIADLRDA-UHFFFAOYSA-N
XLogP0.44
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpyrrol-3-yl)propane-1,3-diol 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

3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol
CID 82280396
2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10704935
2-hydrazinyl-1-(1-methylpyrrol-3-yl)ethanol
CID 82280203
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10612074
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol
CID 79109219
2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol
CID 82280921
1-phenylpropane-1,3-diol
CID 572059
3-butan-2-yl-1-methylpyrrole
CID 58652042
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)propane-1,3-diol?
The IUPAC name of 1-(1-methylpyrrol-3-yl)propane-1,3-diol (CID 82280202) is 1-(1-methylpyrrol-3-yl)propane-1,3-diol.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)propane-1,3-diol?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)propane-1,3-diol is Cn1ccc(C(O)CCO)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)propane-1,3-diol?
The InChIKey is ZLIGRBZIADLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-4-2-7(6-9)8(11)3-5-10/h2,4,6,8,10-11H,3,5H2,1H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)propane-1,3-diol?
1-(1-methylpyrrol-3-yl)propane-1,3-diol has a molecular weight of 155.20 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)propane-1,3-diol is sourced from PubChem (CID 82280202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).