2,5-dimethyl-2H-pyrrol-4-ol

C6H9NO — CID 22087357

IUPAC2,5-dimethyl-2H-pyrrol-4-ol
SMILESCC1=NC(C)C=C1O
InChIInChI=1S/C6H9NO/c1-4-3-6(8)5(2)7-4/h3-4,8H,1-2H3
InChIKeyZGQKVFWIUFCQTP-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.29
Rot. Bonds

About 2,5-dimethyl-2H-pyrrol-4-ol

2,5-dimethyl-2H-pyrrol-4-ol (PubChem CID 22087357) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2,5-dimethyl-2H-pyrrol-4-ol.

Molecular Properties

Compound Name2,5-dimethyl-2H-pyrrol-4-ol
PubChem CID22087357
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2,5-dimethyl-2H-pyrrol-4-ol
SMILESCC1=NC(C)C=C1O
InChIInChI=1S/C6H9NO/c1-4-3-6(8)5(2)7-4/h3-4,8H,1-2H3
InChIKeyZGQKVFWIUFCQTP-UHFFFAOYSA-N
XLogP1.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2H-pyrrol-4-ol?
The IUPAC name of 2,5-dimethyl-2H-pyrrol-4-ol (CID 22087357) is 2,5-dimethyl-2H-pyrrol-4-ol.
What is the SMILES notation for 2,5-dimethyl-2H-pyrrol-4-ol?
The canonical SMILES for 2,5-dimethyl-2H-pyrrol-4-ol is CC1=NC(C)C=C1O.
What is the InChIKey of 2,5-dimethyl-2H-pyrrol-4-ol?
The InChIKey is ZGQKVFWIUFCQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-3-6(8)5(2)7-4/h3-4,8H,1-2H3.
What are the key properties of 2,5-dimethyl-2H-pyrrol-4-ol?
2,5-dimethyl-2H-pyrrol-4-ol has a molecular weight of 111.14 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2H-pyrrol-4-ol is sourced from PubChem (CID 22087357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).