1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde

C13H13NO2 — CID 66409449

IUPAC1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
SMILESCOc1ccccc1Cn1ccc(C=O)c1
InChIInChI=1S/C13H13NO2/c1-16-13-5-3-2-4-12(13)9-14-7-6-11(8-14)10-15/h2-8,10H,9H2,1H3
InChIKeyWGIDMQSFSJAMAY-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.36
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde

1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde (PubChem CID 66409449) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
PubChem CID66409449
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
SMILESCOc1ccccc1Cn1ccc(C=O)c1
InChIInChI=1S/C13H13NO2/c1-16-13-5-3-2-4-12(13)9-14-7-6-11(8-14)10-15/h2-8,10H,9H2,1H3
InChIKeyWGIDMQSFSJAMAY-UHFFFAOYSA-N
XLogP2.36
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.36
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

1-[(5-chloro-2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
CID 66407918
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-3-carbaldehyde
CID 13147290
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 79104344
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108905
1-[(2,3-dimethoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 118380635
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
1-[(3,4-dimethylphenyl)methyl]pyrrole-3-carbaldehyde
CID 66409232
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
1,2-dimethoxybenzene;propanal
CID 174258099

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde (CID 66409449) is 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde is COc1ccccc1Cn1ccc(C=O)c1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde?
The InChIKey is WGIDMQSFSJAMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-13-5-3-2-4-12(13)9-14-7-6-11(8-14)10-15/h2-8,10H,9H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde?
1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde is sourced from PubChem (CID 66409449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).