1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde

C15H16ClNO — CID 30030170

IUPAC1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCCc1c(C=O)c(C)n(-c2ccccc2Cl)c1C
InChIInChI=1S/C15H16ClNO/c1-4-12-10(2)17(11(3)13(12)9-18)15-8-6-5-7-14(15)16/h5-9H,4H2,1-3H3
InChIKeyATPZDSWMFBXUNE-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.12
Rot. Bonds3

About 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde

1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 30030170) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID30030170
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCCc1c(C=O)c(C)n(-c2ccccc2Cl)c1C
InChIInChI=1S/C15H16ClNO/c1-4-12-10(2)17(11(3)13(12)9-18)15-8-6-5-7-14(15)16/h5-9H,4H2,1-3H3
InChIKeyATPZDSWMFBXUNE-UHFFFAOYSA-N
XLogP4.12
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.12
H-Bond Donors ≤ 50
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 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde (CID 30030170) is 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde is CCc1c(C=O)c(C)n(-c2ccccc2Cl)c1C.
What is the InChIKey of 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is ATPZDSWMFBXUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-4-12-10(2)17(11(3)13(12)9-18)15-8-6-5-7-14(15)16/h5-9H,4H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 261.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 30030170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).