3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride

C16H16ClN — CID 68966659

IUPAC3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride
SMILESC/C(=C1/CCc2ccccc21)c1cccnc1.Cl
InChIInChI=1S/C16H15N.ClH/c1-12(14-6-4-10-17-11-14)15-9-8-13-5-2-3-7-16(13)15;/h2-7,10-11H,8-9H2,1H3;1H/b15-12+;
InChIKeyZGTQZBFCMJMQCL-JRUHLWALSA-N
MW257.76 g/mol
LogP4.38
Rot. Bonds1

About 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride

3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride (PubChem CID 68966659) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride
PubChem CID68966659
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride
SMILESC/C(=C1/CCc2ccccc21)c1cccnc1.Cl
InChIInChI=1S/C16H15N.ClH/c1-12(14-6-4-10-17-11-14)15-9-8-13-5-2-3-7-16(13)15;/h2-7,10-11H,8-9H2,1H3;1H/b15-12+;
InChIKeyZGTQZBFCMJMQCL-JRUHLWALSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14566470
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole
CID 155668346
2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
(3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene
CID 54118833
1-pyridin-3-ylethanethione
CID 11815891
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
CID 848058
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
(Z)-N-[(Z)-1-pyridin-3-ylethylideneamino]fluoren-9-imine
CID 8980425
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
3-(2-methylphenyl)pyridine
CID 4133191

Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride?
The IUPAC name of 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride (CID 68966659) is 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride.
What is the SMILES notation for 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride?
The canonical SMILES for 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride is C/C(=C1/CCc2ccccc21)c1cccnc1.Cl.
What is the InChIKey of 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride?
The InChIKey is ZGTQZBFCMJMQCL-JRUHLWALSA-N. The full InChI is InChI=1S/C16H15N.ClH/c1-12(14-6-4-10-17-11-14)15-9-8-13-5-2-3-7-16(13)15;/h2-7,10-11H,8-9H2,1H3;1H/b15-12+;.
What are the key properties of 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride?
3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride is sourced from PubChem (CID 68966659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).