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

C16H15N — CID 6539818

IUPAC3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESCC1C/C(=C/c2cccnc2)c2ccccc21
InChIInChI=1S/C16H15N/c1-12-9-14(10-13-5-4-8-17-11-13)16-7-3-2-6-15(12)16/h2-8,10-12H,9H2,1H3/b14-10-
InChIKeyKMRIBBKLCIMDTB-UVTDQMKNSA-N
MW221.30 g/mol
LogP4.13
Rot. Bonds1

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

3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539818) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539818
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESCC1C/C(=C/c2cccnc2)c2ccccc21
InChIInChI=1S/C16H15N/c1-12-9-14(10-13-5-4-8-17-11-13)16-7-3-2-6-15(12)16/h2-8,10-12H,9H2,1H3/b14-10-
InChIKeyKMRIBBKLCIMDTB-UVTDQMKNSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539818) is 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine is CC1C/C(=C/c2cccnc2)c2ccccc21.
What is the InChIKey of 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is KMRIBBKLCIMDTB-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H15N/c1-12-9-14(10-13-5-4-8-17-11-13)16-7-3-2-6-15(12)16/h2-8,10-12H,9H2,1H3/b14-10-.
What are the key properties of 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 221.30 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).