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

C17H17NO — CID 6539774

IUPAC3-[(Z)-(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-UVTDQMKNSA-N
MW251.33 g/mol
LogP3.97
Rot. Bonds3

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

3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539774) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539774
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-[(Z)-(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-UVTDQMKNSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539774) is 3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine is CCOc1ccc2c(c1)CC/C2=C/c1cccnc1.
What is the InChIKey of 3-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is PXXLKRIIKURDBT-UVTDQMKNSA-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-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(Z)-(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-[(Z)-(5-ethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).