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

C21H23N — CID 139563308

IUPAC2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
SMILESC=C(CCC(=C)c1ncccc1C)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H23N/c1-15(19-12-11-18-7-4-8-20(18)14-19)9-10-17(3)21-16(2)6-5-13-22-21/h5-6,11-14H,1,3-4,7-10H2,2H3
InChIKeyOMTJDKAIBUTAOB-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.39
Rot. Bonds5

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

2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine (PubChem CID 139563308) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
PubChem CID139563308
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
SMILESC=C(CCC(=C)c1ncccc1C)c1ccc2c(c1)CCC2
InChIInChI=1S/C21H23N/c1-15(19-12-11-18-7-4-8-20(18)14-19)9-10-17(3)21-16(2)6-5-13-22-21/h5-6,11-14H,1,3-4,7-10H2,2H3
InChIKeyOMTJDKAIBUTAOB-UHFFFAOYSA-N
XLogP5.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
CID 139563257
3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
CID 139563091
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
7-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
CID 139563174
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
6-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-3H-indole
CID 139563239
5-(4-phenylhept-1-en-2-yl)-2,3-dihydro-1H-indene
CID 143626102
7-[5-(3-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
CID 139563181
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 30868633
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
CID 66446406

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine?
The IUPAC name of 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine (CID 139563308) is 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine.
What is the SMILES notation for 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine?
The canonical SMILES for 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine is C=C(CCC(=C)c1ncccc1C)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine?
The InChIKey is OMTJDKAIBUTAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-15(19-12-11-18-7-4-8-20(18)14-19)9-10-17(3)21-16(2)6-5-13-22-21/h5-6,11-14H,1,3-4,7-10H2,2H3.
What are the key properties of 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine?
2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine has a molecular weight of 289.42 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine is sourced from PubChem (CID 139563308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).