[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol

C11H19NO2 — CID 103034927

IUPAC[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol
SMILESCOC(C)(C)CCn1ccc(CO)c1
InChIInChI=1S/C11H19NO2/c1-11(2,14-3)5-7-12-6-4-10(8-12)9-13/h4,6,8,13H,5,7,9H2,1-3H3
InChIKeyPAWDNAZXPKKIIB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.80
Rot. Bonds5

About [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol

[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol (PubChem CID 103034927) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol
PubChem CID103034927
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol
SMILESCOC(C)(C)CCn1ccc(CO)c1
InChIInChI=1S/C11H19NO2/c1-11(2,14-3)5-7-12-6-4-10(8-12)9-13/h4,6,8,13H,5,7,9H2,1-3H3
InChIKeyPAWDNAZXPKKIIB-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol 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-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol (CID 103034927) is [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol is COC(C)(C)CCn1ccc(CO)c1.
What is the InChIKey of [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol?
The InChIKey is PAWDNAZXPKKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,14-3)5-7-12-6-4-10(8-12)9-13/h4,6,8,13H,5,7,9H2,1-3H3.
What are the key properties of [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol?
[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol has a molecular weight of 197.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 103034927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).