methoxy-(1-methylpyrrol-2-yl)methanol

C7H11NO2 — CID 45087864

IUPACmethoxy-(1-methylpyrrol-2-yl)methanol
SMILESCOC(O)c1cccn1C
InChIInChI=1S/C7H11NO2/c1-8-5-3-4-6(8)7(9)10-2/h3-5,7,9H,1-2H3
InChIKeyGQUZGOGKAPPKLX-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.66
Rot. Bonds2

About methoxy-(1-methylpyrrol-2-yl)methanol

methoxy-(1-methylpyrrol-2-yl)methanol (PubChem CID 45087864) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methoxy-(1-methylpyrrol-2-yl)methanol.

Molecular Properties

Compound Namemethoxy-(1-methylpyrrol-2-yl)methanol
PubChem CID45087864
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethoxy-(1-methylpyrrol-2-yl)methanol
SMILESCOC(O)c1cccn1C
InChIInChI=1S/C7H11NO2/c1-8-5-3-4-6(8)7(9)10-2/h3-5,7,9H,1-2H3
InChIKeyGQUZGOGKAPPKLX-UHFFFAOYSA-N
XLogP0.66
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-ethylpyrrol-2-yl)-methoxymethanol
CID 134511655
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
CID 14788370
dimethyl 2-(1-methylpyrrol-2-yl)propanedioate
CID 12794094
(R)-(3-methoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293101
methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride
CID 171212602
[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
CID 130694036
1-(1-methylpyrrol-2-yl)ethanethiol
CID 170267001
1-(1-methylpyrrol-2-yl)-3-sulfanylpropane-1,2-diol
CID 170821220
(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol
CID 130718418
3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
CID 170829352
(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293069
2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone
CID 171976356

Frequently Asked Questions

What is the IUPAC name of methoxy-(1-methylpyrrol-2-yl)methanol?
The IUPAC name of methoxy-(1-methylpyrrol-2-yl)methanol (CID 45087864) is methoxy-(1-methylpyrrol-2-yl)methanol.
What is the SMILES notation for methoxy-(1-methylpyrrol-2-yl)methanol?
The canonical SMILES for methoxy-(1-methylpyrrol-2-yl)methanol is COC(O)c1cccn1C.
What is the InChIKey of methoxy-(1-methylpyrrol-2-yl)methanol?
The InChIKey is GQUZGOGKAPPKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-5-3-4-6(8)7(9)10-2/h3-5,7,9H,1-2H3.
What are the key properties of methoxy-(1-methylpyrrol-2-yl)methanol?
methoxy-(1-methylpyrrol-2-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(1-methylpyrrol-2-yl)methanol is sourced from PubChem (CID 45087864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).