3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine

C17H17NO — CID 6539773

IUPAC3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESCCOc1ccc2c(c1)CC/C2=C\c1cccnc1
InChIInChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+
InChIKeyPXXLKRIIKURDBT-GXDHUFHOSA-N
MW251.33 g/mol
LogP3.97
Rot. Bonds3

About 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine

3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539773) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539773
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESCCOc1ccc2c(c1)CC/C2=C\c1cccnc1
InChIInChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+
InChIKeyPXXLKRIIKURDBT-GXDHUFHOSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
CT 1730; GR 259653X
CID 89809670
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
(3-Pyridylmethylene)indane 26a
CID 6539776
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539773) is 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine is CCOc1ccc2c(c1)CC/C2=C\c1cccnc1.
What is the InChIKey of 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is PXXLKRIIKURDBT-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+.
What are the key properties of 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 251.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).