3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol

C10H18N2O2 — CID 82850357

IUPAC3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol
SMILESCCNCc1cccn1CC(O)CO
InChIInChI=1S/C10H18N2O2/c1-2-11-6-9-4-3-5-12(9)7-10(14)8-13/h3-5,10-11,13-14H,2,6-8H2,1H3
InChIKeyUTMZVPOPDYRLBQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.05
Rot. Bonds6

About 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol

3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol (PubChem CID 82850357) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol
PubChem CID82850357
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol
SMILESCCNCc1cccn1CC(O)CO
InChIInChI=1S/C10H18N2O2/c1-2-11-6-9-4-3-5-12(9)7-10(14)8-13/h3-5,10-11,13-14H,2,6-8H2,1H3
InChIKeyUTMZVPOPDYRLBQ-UHFFFAOYSA-N
XLogP-0.05
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol 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-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol (CID 82850357) is 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol is CCNCc1cccn1CC(O)CO.
What is the InChIKey of 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol?
The InChIKey is UTMZVPOPDYRLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-11-6-9-4-3-5-12(9)7-10(14)8-13/h3-5,10-11,13-14H,2,6-8H2,1H3.
What are the key properties of 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol?
3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol has a molecular weight of 198.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82850357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).