3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane

C22H24ClN — CID 145340614

IUPAC3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane
SMILESC/C(=C\C=C/c1c[nH]c2ccccc12)Cc1ccc(Cl)cc1.CC
InChIInChI=1S/C20H18ClN.C2H6/c1-15(13-16-9-11-18(21)12-10-16)5-4-6-17-14-22-20-8-3-2-7-19(17)20;1-2/h2-12,14,22H,13H2,1H3;1-2H3/b6-4-,15-5+;
InChIKeyJZQOLZSYNILOFQ-XNDXWMNFSA-N
MW337.89 g/mol
LogP7.05
Rot. Bonds4

About 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane

3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane (PubChem CID 145340614) has the molecular formula C22H24ClN and a molecular weight of 337.89 g/mol. Its IUPAC name is 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane.

Molecular Properties

Compound Name3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane
PubChem CID145340614
Molecular FormulaC22H24ClN
Molecular Weight337.89 g/mol
Exact Mass337.16
IUPAC Name3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane
SMILESC/C(=C\C=C/c1c[nH]c2ccccc12)Cc1ccc(Cl)cc1.CC
InChIInChI=1S/C20H18ClN.C2H6/c1-15(13-16-9-11-18(21)12-10-16)5-4-6-17-14-22-20-8-3-2-7-19(17)20;1-2/h2-12,14,22H,13H2,1H3;1-2H3/b6-4-,15-5+;
InChIKeyJZQOLZSYNILOFQ-XNDXWMNFSA-N
XLogP7.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.89
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide
CID 136846390
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870
N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 73338848
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8540477
(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8540485
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
(E)-2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 135781270
1-chloro-4-(2-methylpent-4-enyl)benzene;ethane;3-ethyl-1H-indole;(3Z)-penta-1,3-diene
CID 145481821
S-[3-(6-chloro-1H-indol-3-yl)prop-2-enyl] ethanethioate
CID 169458583
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane?
The IUPAC name of 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane (CID 145340614) is 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane.
What is the SMILES notation for 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane?
The canonical SMILES for 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane is C/C(=C\C=C/c1c[nH]c2ccccc12)Cc1ccc(Cl)cc1.CC.
What is the InChIKey of 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane?
The InChIKey is JZQOLZSYNILOFQ-XNDXWMNFSA-N. The full InChI is InChI=1S/C20H18ClN.C2H6/c1-15(13-16-9-11-18(21)12-10-16)5-4-6-17-14-22-20-8-3-2-7-19(17)20;1-2/h2-12,14,22H,13H2,1H3;1-2H3/b6-4-,15-5+;.
What are the key properties of 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane?
3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane has a molecular weight of 337.89 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3E)-5-(4-chlorophenyl)-4-methylpenta-1,3-dienyl]-1H-indole;ethane is sourced from PubChem (CID 145340614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).