4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine

C16H15N — CID 6539787

IUPAC4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine
SMILESC(=C1\CCCc2ccccc21)\c1ccncc1
InChIInChI=1S/C16H15N/c1-2-7-16-14(4-1)5-3-6-15(16)12-13-8-10-17-11-9-13/h1-2,4,7-12H,3,5-6H2/b15-12+
InChIKeyWCNFIMZYZJWWCJ-NTCAYCPXSA-N
MW221.30 g/mol
LogP3.96
Rot. Bonds1

About 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine

4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine (PubChem CID 6539787) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine.

Molecular Properties

Compound Name4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine
PubChem CID6539787
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine
SMILESC(=C1\CCCc2ccccc21)\c1ccncc1
InChIInChI=1S/C16H15N/c1-2-7-16-14(4-1)5-3-6-15(16)12-13-8-10-17-11-9-13/h1-2,4,7-12H,3,5-6H2/b15-12+
InChIKeyWCNFIMZYZJWWCJ-NTCAYCPXSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine?
The IUPAC name of 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine (CID 6539787) is 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine.
What is the SMILES notation for 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine?
The canonical SMILES for 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine is C(=C1\CCCc2ccccc21)\c1ccncc1.
What is the InChIKey of 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine?
The InChIKey is WCNFIMZYZJWWCJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H15N/c1-2-7-16-14(4-1)5-3-6-15(16)12-13-8-10-17-11-9-13/h1-2,4,7-12H,3,5-6H2/b15-12+.
What are the key properties of 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine?
4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine has a molecular weight of 221.30 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine is sourced from PubChem (CID 6539787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).