2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde

C17H15NO — CID 10422176

IUPAC2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde
SMILESO=CC1=C(N2CCCC2)c2cccc3cccc1c23
InChIInChI=1S/C17H15NO/c19-11-15-13-7-3-5-12-6-4-8-14(16(12)13)17(15)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2
InChIKeyIYTJPLJAJCAYDB-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.32
Rot. Bonds2

About 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde

2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde (PubChem CID 10422176) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde.

Molecular Properties

Compound Name2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde
PubChem CID10422176
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde
SMILESO=CC1=C(N2CCCC2)c2cccc3cccc1c23
InChIInChI=1S/C17H15NO/c19-11-15-13-7-3-5-12-6-4-8-14(16(12)13)17(15)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2
InChIKeyIYTJPLJAJCAYDB-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
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 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde?
The IUPAC name of 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde (CID 10422176) is 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde.
What is the SMILES notation for 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde?
The canonical SMILES for 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde is O=CC1=C(N2CCCC2)c2cccc3cccc1c23.
What is the InChIKey of 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde?
The InChIKey is IYTJPLJAJCAYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-11-15-13-7-3-5-12-6-4-8-14(16(12)13)17(15)18-9-1-2-10-18/h3-8,11H,1-2,9-10H2.
What are the key properties of 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde?
2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylacenaphthylene-1-carbaldehyde is sourced from PubChem (CID 10422176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).