1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde

C10H15NO2 — CID 2068116

IUPAC1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOCCn1c(C)cc(C=O)c1C
InChIInChI=1S/C10H15NO2/c1-8-6-10(7-12)9(2)11(8)4-5-13-3/h6-7H,4-5H2,1-3H3
InChIKeyPLAMSNVDPRMJRI-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.56
Rot. Bonds4

About 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde

1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 2068116) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID2068116
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOCCn1c(C)cc(C=O)c1C
InChIInChI=1S/C10H15NO2/c1-8-6-10(7-12)9(2)11(8)4-5-13-3/h6-7H,4-5H2,1-3H3
InChIKeyPLAMSNVDPRMJRI-UHFFFAOYSA-N
XLogP1.56
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 2068116) is 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde is COCCn1c(C)cc(C=O)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is PLAMSNVDPRMJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-6-10(7-12)9(2)11(8)4-5-13-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 181.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 2068116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).