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

C20H19N — CID 139563102

IUPAC2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
SMILESC=C(CCC(=C)c1ccccn1)c1ccc2c(c1)C=CC2
InChIInChI=1S/C20H19N/c1-15(9-10-16(2)20-8-3-4-13-21-20)18-12-11-17-6-5-7-19(17)14-18/h3-5,7-8,11-14H,1-2,6,9-10H2
InChIKeySAOWYWLQUNYKKW-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.16
Rot. Bonds5

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

2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine (PubChem CID 139563102) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
PubChem CID139563102
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
SMILESC=C(CCC(=C)c1ccccn1)c1ccc2c(c1)C=CC2
InChIInChI=1S/C20H19N/c1-15(9-10-16(2)20-8-3-4-13-21-20)18-12-11-17-6-5-7-19(17)14-18/h3-5,7-8,11-14H,1-2,6,9-10H2
InChIKeySAOWYWLQUNYKKW-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine
CID 139563253
6-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-3H-indole
CID 139563239
2-hept-1-en-2-ylpyridine
CID 67857415
3-pyridin-2-ylbut-3-enenitrile
CID 14046525
2-(4,4,4-trifluorobut-1-en-2-yl)pyridine
CID 102489188
4-(1H-inden-5-yl)pyridine
CID 165450634
5-pyridin-2-ylhex-5-ene-1-sulfonic acid
CID 175534242
2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
CID 139563308
N,N-dimethyl-2-pyridin-2-ylprop-2-en-1-amine;hydrochloride
CID 54606559
1H-indene;pyrazine
CID 175286554
2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyrimidine
CID 139563355
[4-(1H-inden-5-yloxy)-2-pyridinyl]methanol
CID 153263864

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine?
The IUPAC name of 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine (CID 139563102) is 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine.
What is the SMILES notation for 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine?
The canonical SMILES for 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine is C=C(CCC(=C)c1ccccn1)c1ccc2c(c1)C=CC2.
What is the InChIKey of 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine?
The InChIKey is SAOWYWLQUNYKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-15(9-10-16(2)20-8-3-4-13-21-20)18-12-11-17-6-5-7-19(17)14-18/h3-5,7-8,11-14H,1-2,6,9-10H2.
What are the key properties of 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine?
2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine has a molecular weight of 273.38 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine is sourced from PubChem (CID 139563102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).