3-ethyl-4-methyl-1H-pyrrol-2-ol

C7H11NO — CID 45092467

IUPAC3-ethyl-4-methyl-1H-pyrrol-2-ol
SMILESCCc1c(C)c[nH]c1O
InChIInChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h4,8-9H,3H2,1-2H3
InChIKeyPORYSPABEFCSLA-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.59
Rot. Bonds1

About 3-ethyl-4-methyl-1H-pyrrol-2-ol

3-ethyl-4-methyl-1H-pyrrol-2-ol (PubChem CID 45092467) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name3-ethyl-4-methyl-1H-pyrrol-2-ol
PubChem CID45092467
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-ethyl-4-methyl-1H-pyrrol-2-ol
SMILESCCc1c(C)c[nH]c1O
InChIInChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h4,8-9H,3H2,1-2H3
InChIKeyPORYSPABEFCSLA-UHFFFAOYSA-N
XLogP1.59
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1H-pyrrol-2-ol?
The IUPAC name of 3-ethyl-4-methyl-1H-pyrrol-2-ol (CID 45092467) is 3-ethyl-4-methyl-1H-pyrrol-2-ol.
What is the SMILES notation for 3-ethyl-4-methyl-1H-pyrrol-2-ol?
The canonical SMILES for 3-ethyl-4-methyl-1H-pyrrol-2-ol is CCc1c(C)c[nH]c1O.
What is the InChIKey of 3-ethyl-4-methyl-1H-pyrrol-2-ol?
The InChIKey is PORYSPABEFCSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h4,8-9H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-1H-pyrrol-2-ol?
3-ethyl-4-methyl-1H-pyrrol-2-ol has a molecular weight of 125.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1H-pyrrol-2-ol is sourced from PubChem (CID 45092467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).