5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde

C17H14N2O2 — CID 10858812

IUPAC5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C(c2ccccc2)c2ccc(C=O)[nH]2)[nH]1
InChIInChI=1S/C17H14N2O2/c20-10-13-6-8-15(18-13)17(12-4-2-1-3-5-12)16-9-7-14(11-21)19-16/h1-11,17-19H
InChIKeyHIVKUXYIXPJACL-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.15
Rot. Bonds5

About 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde

5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 10858812) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde
PubChem CID10858812
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C(c2ccccc2)c2ccc(C=O)[nH]2)[nH]1
InChIInChI=1S/C17H14N2O2/c20-10-13-6-8-15(18-13)17(12-4-2-1-3-5-12)16-9-7-14(11-21)19-16/h1-11,17-19H
InChIKeyHIVKUXYIXPJACL-UHFFFAOYSA-N
XLogP3.15
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
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 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde (CID 10858812) is 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(C(c2ccccc2)c2ccc(C=O)[nH]2)[nH]1.
What is the InChIKey of 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is HIVKUXYIXPJACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-10-13-6-8-15(18-13)17(12-4-2-1-3-5-12)16-9-7-14(11-21)19-16/h1-11,17-19H.
What are the key properties of 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde?
5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 278.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-formyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 10858812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).