methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde

C9H15NO2 — CID 144798147

IUPACmethoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde
SMILESCCOC.Cc1ccc(C=O)[nH]1
InChIInChI=1S/C6H7NO.C3H8O/c1-5-2-3-6(4-8)7-5;1-3-4-2/h2-4,7H,1H3;3H2,1-2H3
InChIKeyNOVMRHMFVBCKHD-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds2

About methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde

methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde (PubChem CID 144798147) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Namemethoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde
PubChem CID144798147
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde
SMILESCCOC.Cc1ccc(C=O)[nH]1
InChIInChI=1S/C6H7NO.C3H8O/c1-5-2-3-6(4-8)7-5;1-3-4-2/h2-4,7H,1H3;3H2,1-2H3
InChIKeyNOVMRHMFVBCKHD-UHFFFAOYSA-N
XLogP1.79
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde (CID 144798147) is methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde is CCOC.Cc1ccc(C=O)[nH]1.
What is the InChIKey of methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is NOVMRHMFVBCKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C3H8O/c1-5-2-3-6(4-8)7-5;1-3-4-2/h2-4,7H,1H3;3H2,1-2H3.
What are the key properties of methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde?
methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 169.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 144798147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).