3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine

C20H21N — CID 139563091

IUPAC3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
SMILESC=C(CCC(=C)c1ccc2c(c1)CCC2)c1cccnc1
InChIInChI=1S/C20H21N/c1-15(8-9-16(2)20-7-4-12-21-14-20)18-11-10-17-5-3-6-19(17)13-18/h4,7,10-14H,1-3,5-6,8-9H2
InChIKeyIJDIDSNMFDWHQO-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.08
Rot. Bonds5

About 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine

3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine (PubChem CID 139563091) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
PubChem CID139563091
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
SMILESC=C(CCC(=C)c1ccc2c(c1)CCC2)c1cccnc1
InChIInChI=1S/C20H21N/c1-15(8-9-16(2)20-7-4-12-21-14-20)18-11-10-17-5-3-6-19(17)13-18/h4,7,10-14H,1-3,5-6,8-9H2
InChIKeyIJDIDSNMFDWHQO-UHFFFAOYSA-N
XLogP5.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
CID 139563308
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-ol
CID 15468364
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368714
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413832
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
3-(2,3-dihydro-1H-inden-5-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523817
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
CID 44725537
2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone
CID 103134049
1-(2-pyridin-3-ylprop-2-enyl)pyrrolidin-2-one
CID 22733091

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine?
The IUPAC name of 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine (CID 139563091) is 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine.
What is the SMILES notation for 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine?
The canonical SMILES for 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine is C=C(CCC(=C)c1ccc2c(c1)CCC2)c1cccnc1.
What is the InChIKey of 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine?
The InChIKey is IJDIDSNMFDWHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-15(8-9-16(2)20-7-4-12-21-14-20)18-11-10-17-5-3-6-19(17)13-18/h4,7,10-14H,1-3,5-6,8-9H2.
What are the key properties of 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine?
3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine has a molecular weight of 275.39 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine is sourced from PubChem (CID 139563091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).