1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol

C11H19NO2 — CID 79097770

IUPAC1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCOCCn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C11H19NO2/c1-9(2)11(13)10-4-5-12(8-10)6-7-14-3/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyVEWHMIQPBFADLS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.82
Rot. Bonds5

About 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol

1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol (PubChem CID 79097770) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
PubChem CID79097770
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCOCCn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C11H19NO2/c1-9(2)11(13)10-4-5-12(8-10)6-7-14-3/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyVEWHMIQPBFADLS-UHFFFAOYSA-N
XLogP1.82
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol (CID 79097770) is 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol is COCCn1ccc(C(O)C(C)C)c1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The InChIKey is VEWHMIQPBFADLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)11(13)10-4-5-12(8-10)6-7-14-3/h4-5,8-9,11,13H,6-7H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 79097770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).