3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine

C16H15N — CID 68963707

IUPAC3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESCc1cccc2c1CCC2=Cc1cccnc1
InChIInChI=1S/C16H15N/c1-12-4-2-6-16-14(7-8-15(12)16)10-13-5-3-9-17-11-13/h2-6,9-11H,7-8H2,1H3
InChIKeyORCOWTSQEFCEFC-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.88
Rot. Bonds1

About 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine

3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 68963707) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID68963707
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESCc1cccc2c1CCC2=Cc1cccnc1
InChIInChI=1S/C16H15N/c1-12-4-2-6-16-14(7-8-15(12)16)10-13-5-3-9-17-11-13/h2-6,9-11H,7-8H2,1H3
InChIKeyORCOWTSQEFCEFC-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 68963707) is 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine is Cc1cccc2c1CCC2=Cc1cccnc1.
What is the InChIKey of 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is ORCOWTSQEFCEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-4-2-6-16-14(7-8-15(12)16)10-13-5-3-9-17-11-13/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 221.30 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 68963707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).