2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene

C19H20 — CID 142424522

IUPAC2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene
SMILESC=CC1=C(/C=C\C)c2ccc(/C(C=C)=C/C)cc2C1
InChIInChI=1S/C19H20/c1-5-9-18-15(8-4)12-17-13-16(10-11-19(17)18)14(6-2)7-3/h5-11,13H,2,4,12H2,1,3H3/b9-5-,14-7+
InChIKeyPELZEICTOOWRDJ-PHDPWZEUSA-N
MW248.37 g/mol
LogP5.35
Rot. Bonds4

About 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene

2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene (PubChem CID 142424522) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene.

Molecular Properties

Compound Name2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene
PubChem CID142424522
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene
SMILESC=CC1=C(/C=C\C)c2ccc(/C(C=C)=C/C)cc2C1
InChIInChI=1S/C19H20/c1-5-9-18-15(8-4)12-17-13-16(10-11-19(17)18)14(6-2)7-3/h5-11,13H,2,4,12H2,1,3H3/b9-5-,14-7+
InChIKeyPELZEICTOOWRDJ-PHDPWZEUSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
6-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-indene
CID 143224667
2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine
CID 153385150
ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 143520012
N-[3-[5-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pentyl]phenyl]acetamide;2-methylprop-1-ene
CID 143490736
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
N-[(1E)-2-(2,2-dimethyl-1,3-dihydroinden-5-yl)buta-1,3-dienyl]ethanimine
CID 142946827
1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate
CID 145008734
1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
CID 58174508
8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one
CID 164598410
1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 145141155
(Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid
CID 135280670

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene?
The IUPAC name of 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene (CID 142424522) is 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene.
What is the SMILES notation for 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene?
The canonical SMILES for 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene is C=CC1=C(/C=C\C)c2ccc(/C(C=C)=C/C)cc2C1.
What is the InChIKey of 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene?
The InChIKey is PELZEICTOOWRDJ-PHDPWZEUSA-N. The full InChI is InChI=1S/C19H20/c1-5-9-18-15(8-4)12-17-13-16(10-11-19(17)18)14(6-2)7-3/h5-11,13H,2,4,12H2,1,3H3/b9-5-,14-7+.
What are the key properties of 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene?
2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene has a molecular weight of 248.37 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene is sourced from PubChem (CID 142424522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).