1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde

C16H13NO — CID 974670

IUPAC1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1Cc1cccc2ccccc12
InChIInChI=1S/C16H13NO/c18-12-15-8-4-10-17(15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2
InChIKeyUOULQAPYIIWPRO-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.50
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde

1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde (PubChem CID 974670) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde
PubChem CID974670
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1Cc1cccc2ccccc12
InChIInChI=1S/C16H13NO/c18-12-15-8-4-10-17(15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2
InChIKeyUOULQAPYIIWPRO-UHFFFAOYSA-N
XLogP3.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde
CID 64693294
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
1-[(2-chloro-3-fluorophenyl)methyl]pyrrole-2-carbaldehyde
CID 112652874
1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
CID 62370147
2-naphthalen-1-ylacetaldehyde
CID 12570786
1-[(2-iodothiophen-3-yl)methyl]pyrrole-2-carbaldehyde
CID 125480195
1-(pyridin-2-ylmethyl)pyrrole-2-carbaldehyde
CID 3791494
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 11137952
(6Z)-5-imino-6-[[1-(naphthalen-1-ylmethyl)pyrrol-2-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 6313446
2-iodo-1-(naphthalen-1-ylmethyl)imidazole
CID 102402216
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(2,2,2-trifluoroethyl)pyrrole-2-carbaldehyde
CID 43476990

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde (CID 974670) is 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde is O=Cc1cccn1Cc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde?
The InChIKey is UOULQAPYIIWPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-12-15-8-4-10-17(15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde?
1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 974670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).