4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine

C17H17NO — CID 6539798

IUPAC4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
SMILESCOc1ccc2c(c1)CCC/C2=C\c1ccncc1
InChIInChI=1S/C17H17NO/c1-19-16-5-6-17-14(3-2-4-15(17)12-16)11-13-7-9-18-10-8-13/h5-12H,2-4H2,1H3/b14-11+
InChIKeyWWXHXACFBISQTE-SDNWHVSQSA-N
MW251.33 g/mol
LogP3.97
Rot. Bonds2

About 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine

4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine (PubChem CID 6539798) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
PubChem CID6539798
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
SMILESCOc1ccc2c(c1)CCC/C2=C\c1ccncc1
InChIInChI=1S/C17H17NO/c1-19-16-5-6-17-14(3-2-4-15(17)12-16)11-13-7-9-18-10-8-13/h5-12H,2-4H2,1H3/b14-11+
InChIKeyWWXHXACFBISQTE-SDNWHVSQSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The IUPAC name of 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine (CID 6539798) is 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine.
What is the SMILES notation for 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The canonical SMILES for 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine is COc1ccc2c(c1)CCC/C2=C\c1ccncc1.
What is the InChIKey of 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The InChIKey is WWXHXACFBISQTE-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H17NO/c1-19-16-5-6-17-14(3-2-4-15(17)12-16)11-13-7-9-18-10-8-13/h5-12H,2-4H2,1H3/b14-11+.
What are the key properties of 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine has a molecular weight of 251.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).