methoxy-(3-methyl-1H-pyrrol-2-yl)methanol

C7H11NO2 — CID 167286311

IUPACmethoxy-(3-methyl-1H-pyrrol-2-yl)methanol
SMILESCOC(O)c1[nH]ccc1C
InChIInChI=1S/C7H11NO2/c1-5-3-4-8-6(5)7(9)10-2/h3-4,7-9H,1-2H3
InChIKeyFPUZFCFQRPHGMW-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.96
Rot. Bonds2

About methoxy-(3-methyl-1H-pyrrol-2-yl)methanol

methoxy-(3-methyl-1H-pyrrol-2-yl)methanol (PubChem CID 167286311) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methoxy-(3-methyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Namemethoxy-(3-methyl-1H-pyrrol-2-yl)methanol
PubChem CID167286311
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethoxy-(3-methyl-1H-pyrrol-2-yl)methanol
SMILESCOC(O)c1[nH]ccc1C
InChIInChI=1S/C7H11NO2/c1-5-3-4-8-6(5)7(9)10-2/h3-4,7-9H,1-2H3
InChIKeyFPUZFCFQRPHGMW-UHFFFAOYSA-N
XLogP0.96
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-(3-methyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of methoxy-(3-methyl-1H-pyrrol-2-yl)methanol (CID 167286311) is methoxy-(3-methyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for methoxy-(3-methyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for methoxy-(3-methyl-1H-pyrrol-2-yl)methanol is COC(O)c1[nH]ccc1C.
What is the InChIKey of methoxy-(3-methyl-1H-pyrrol-2-yl)methanol?
The InChIKey is FPUZFCFQRPHGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-4-8-6(5)7(9)10-2/h3-4,7-9H,1-2H3.
What are the key properties of methoxy-(3-methyl-1H-pyrrol-2-yl)methanol?
methoxy-(3-methyl-1H-pyrrol-2-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(3-methyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 167286311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).