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

C16H15NO — CID 6539769

IUPAC3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESCOc1ccc2c(c1)CC/C2=C\c1cccnc1
InChIInChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
InChIKeyHVRLSDXXVKSVBR-UKTHLTGXSA-N
MW237.30 g/mol
LogP3.58
Rot. Bonds2

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

3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539769) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539769
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESCOc1ccc2c(c1)CC/C2=C\c1cccnc1
InChIInChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+
InChIKeyHVRLSDXXVKSVBR-UKTHLTGXSA-N
XLogP3.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539769) is 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine is COc1ccc2c(c1)CC/C2=C\c1cccnc1.
What is the InChIKey of 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is HVRLSDXXVKSVBR-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H15NO/c1-18-15-6-7-16-13(4-5-14(16)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b13-9+.
What are the key properties of 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 237.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).