5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde

C8H11NO2 — CID 169092984

IUPAC5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde
SMILESCn1c(C=O)ccc1CCO
InChIInChI=1S/C8H11NO2/c1-9-7(4-5-10)2-3-8(9)6-11/h2-3,6,10H,4-5H2,1H3
InChIKeyMHGGRANYHZAATR-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.37
Rot. Bonds3

About 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde

5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde (PubChem CID 169092984) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde
PubChem CID169092984
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde
SMILESCn1c(C=O)ccc1CCO
InChIInChI=1S/C8H11NO2/c1-9-7(4-5-10)2-3-8(9)6-11/h2-3,6,10H,4-5H2,1H3
InChIKeyMHGGRANYHZAATR-UHFFFAOYSA-N
XLogP0.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde?
The IUPAC name of 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde (CID 169092984) is 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde?
The canonical SMILES for 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde is Cn1c(C=O)ccc1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde?
The InChIKey is MHGGRANYHZAATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-7(4-5-10)2-3-8(9)6-11/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde?
5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde is sourced from PubChem (CID 169092984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).