spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde

C15H17NO — CID 10537290

IUPACspiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde
SMILESO=CN1C=CCCC12CCCc1ccccc12
InChIInChI=1S/C15H17NO/c17-12-16-11-4-3-9-15(16)10-5-7-13-6-1-2-8-14(13)15/h1-2,4,6,8,11-12H,3,5,7,9-10H2
InChIKeyUWELTCGWYWYCRL-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.98
Rot. Bonds1

About spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde

spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde (PubChem CID 10537290) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde.

Molecular Properties

Compound Namespiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde
PubChem CID10537290
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Namespiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde
SMILESO=CN1C=CCCC12CCCc1ccccc12
InChIInChI=1S/C15H17NO/c17-12-16-11-4-3-9-15(16)10-5-7-13-6-1-2-8-14(13)15/h1-2,4,6,8,11-12H,3,5,7,9-10H2
InChIKeyUWELTCGWYWYCRL-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde?
The IUPAC name of spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde (CID 10537290) is spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde.
What is the SMILES notation for spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde?
The canonical SMILES for spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde is O=CN1C=CCCC12CCCc1ccccc12.
What is the InChIKey of spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde?
The InChIKey is UWELTCGWYWYCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-12-16-11-4-3-9-15(16)10-5-7-13-6-1-2-8-14(13)15/h1-2,4,6,8,11-12H,3,5,7,9-10H2.
What are the key properties of spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde?
spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde has a molecular weight of 227.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydro-1H-naphthalene-4,2'-3,4-dihydropyridine]-1'-carbaldehyde is sourced from PubChem (CID 10537290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).