1-(2-methoxyphenyl)pyrrole-2-carbaldehyde

C12H11NO2 — CID 3163701

IUPAC1-(2-methoxyphenyl)pyrrole-2-carbaldehyde
SMILESCOc1ccccc1-n1cccc1C=O
InChIInChI=1S/C12H11NO2/c1-15-12-7-3-2-6-11(12)13-8-4-5-10(13)9-14/h2-9H,1H3
InChIKeyIDXACMSARNPHFV-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.30
Rot. Bonds3

About 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde

1-(2-methoxyphenyl)pyrrole-2-carbaldehyde (PubChem CID 3163701) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyphenyl)pyrrole-2-carbaldehyde
PubChem CID3163701
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(2-methoxyphenyl)pyrrole-2-carbaldehyde
SMILESCOc1ccccc1-n1cccc1C=O
InChIInChI=1S/C12H11NO2/c1-15-12-7-3-2-6-11(12)13-8-4-5-10(13)9-14/h2-9H,1H3
InChIKeyIDXACMSARNPHFV-UHFFFAOYSA-N
XLogP2.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetyl-1-furfurylpyrrole
CID 20560368
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-1H-pyrrole-2-carboxamide
CID 10087901
1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 1121197
1-(4-methoxyphenyl)-1H-pyrrole-2-carbaldehyde
CID 882501
3-Methoxypyridine-2-carbaldehyde
CID 5324772
1-(4-Hydroxyphenyl)pyrrole-2-carbaldehyde
CID 1072567
1H-Pyrrole-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9928647
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 10315346
1H-Pyrrole-2-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide
CID 10405125
3-(2-Furyl)-1-(2-pyridinyl)-2-propen-1-one
CID 5854189
1-((Furan-2-yl)methyl)-1H-pyrrole-2-carbaldehyde
CID 529880
(Z)-3-(2-methoxyanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 156011551

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde (CID 3163701) is 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde is COc1ccccc1-n1cccc1C=O.
What is the InChIKey of 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde?
The InChIKey is IDXACMSARNPHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12-7-3-2-6-11(12)13-8-4-5-10(13)9-14/h2-9H,1H3.
What are the key properties of 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde?
1-(2-methoxyphenyl)pyrrole-2-carbaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 3163701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).