(2-methyl-2H-pyrrol-4-yl)methanol

C6H9NO — CID 89319849

IUPAC(2-methyl-2H-pyrrol-4-yl)methanol
SMILESCC1C=C(CO)C=N1
InChIInChI=1S/C6H9NO/c1-5-2-6(4-8)3-7-5/h2-3,5,8H,4H2,1H3
InChIKeyONGQKANQFLLSGG-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.38
Rot. Bonds1

About (2-methyl-2H-pyrrol-4-yl)methanol

(2-methyl-2H-pyrrol-4-yl)methanol (PubChem CID 89319849) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (2-methyl-2H-pyrrol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2H-pyrrol-4-yl)methanol
PubChem CID89319849
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(2-methyl-2H-pyrrol-4-yl)methanol
SMILESCC1C=C(CO)C=N1
InChIInChI=1S/C6H9NO/c1-5-2-6(4-8)3-7-5/h2-3,5,8H,4H2,1H3
InChIKeyONGQKANQFLLSGG-UHFFFAOYSA-N
XLogP0.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2H-pyrrol-4-yl)methanol?
The IUPAC name of (2-methyl-2H-pyrrol-4-yl)methanol (CID 89319849) is (2-methyl-2H-pyrrol-4-yl)methanol.
What is the SMILES notation for (2-methyl-2H-pyrrol-4-yl)methanol?
The canonical SMILES for (2-methyl-2H-pyrrol-4-yl)methanol is CC1C=C(CO)C=N1.
What is the InChIKey of (2-methyl-2H-pyrrol-4-yl)methanol?
The InChIKey is ONGQKANQFLLSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-6(4-8)3-7-5/h2-3,5,8H,4H2,1H3.
What are the key properties of (2-methyl-2H-pyrrol-4-yl)methanol?
(2-methyl-2H-pyrrol-4-yl)methanol has a molecular weight of 111.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2H-pyrrol-4-yl)methanol is sourced from PubChem (CID 89319849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).