1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde

C18H16N2O2 — CID 59917955

IUPAC1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1Cc1cccc(Cn2cccc2C=O)c1
InChIInChI=1S/C18H16N2O2/c21-13-17-6-2-8-19(17)11-15-4-1-5-16(10-15)12-20-9-3-7-18(20)14-22/h1-10,13-14H,11-12H2
InChIKeyUWNBPKJBLCLSJZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.01
Rot. Bonds6

About 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde

1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde (PubChem CID 59917955) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde
PubChem CID59917955
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1Cc1cccc(Cn2cccc2C=O)c1
InChIInChI=1S/C18H16N2O2/c21-13-17-6-2-8-19(17)11-15-4-1-5-16(10-15)12-20-9-3-7-18(20)14-22/h1-10,13-14H,11-12H2
InChIKeyUWNBPKJBLCLSJZ-UHFFFAOYSA-N
XLogP3.01
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde?
The IUPAC name of 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde (CID 59917955) is 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde is O=Cc1cccn1Cc1cccc(Cn2cccc2C=O)c1.
What is the InChIKey of 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde?
The InChIKey is UWNBPKJBLCLSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-13-17-6-2-8-19(17)11-15-4-1-5-16(10-15)12-20-9-3-7-18(20)14-22/h1-10,13-14H,11-12H2.
What are the key properties of 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde?
1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde has a molecular weight of 292.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-formylpyrrol-1-yl)methyl]phenyl]methyl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 59917955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).