2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde

C15H15NO — CID 54490248

IUPAC2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(N2CCCC2)ccc2ccccc12
InChIInChI=1S/C15H15NO/c17-11-14-13-6-2-1-5-12(13)7-8-15(14)16-9-3-4-10-16/h1-2,5-8,11H,3-4,9-10H2
InChIKeyXVEVFZNOHWEYFX-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.25
Rot. Bonds2

About 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde

2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde (PubChem CID 54490248) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde
PubChem CID54490248
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(N2CCCC2)ccc2ccccc12
InChIInChI=1S/C15H15NO/c17-11-14-13-6-2-1-5-12(13)7-8-15(14)16-9-3-4-10-16/h1-2,5-8,11H,3-4,9-10H2
InChIKeyXVEVFZNOHWEYFX-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde
CID 87127555
1-phenanthren-1-ylpyrrolidine
CID 138533599
2-chloronaphthalene-1-carbaldehyde
CID 19065818
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
2-(2-bromophenyl)naphthalene-1-carbaldehyde
CID 102449578
4,5-dipyrrolidin-1-ylnaphthalene-1,8-dicarbaldehyde
CID 139243545
4-pyrrolidin-1-ylnaphthalene-1-sulfonamide
CID 69225532
1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one
CID 174478124
1-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol
CID 3680160
2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
CID 101108886
2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
CID 87762112

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde (CID 54490248) is 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde is O=Cc1c(N2CCCC2)ccc2ccccc12.
What is the InChIKey of 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde?
The InChIKey is XVEVFZNOHWEYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-11-14-13-6-2-1-5-12(13)7-8-15(14)16-9-3-4-10-16/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde?
2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 54490248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).