1-penta-2,4-dienylideneindene

C14H12 — CID 91326261

IUPAC1-penta-2,4-dienylideneindene
SMILESC=CC=CC=C1C=Cc2ccccc21
InChIInChI=1S/C14H12/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13/h2-11H,1H2
InChIKeySPTXHNLBVUSFJX-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.84
Rot. Bonds2

About 1-penta-2,4-dienylideneindene

1-penta-2,4-dienylideneindene (PubChem CID 91326261) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-penta-2,4-dienylideneindene.

Molecular Properties

Compound Name1-penta-2,4-dienylideneindene
PubChem CID91326261
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name1-penta-2,4-dienylideneindene
SMILESC=CC=CC=C1C=Cc2ccccc21
InChIInChI=1S/C14H12/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13/h2-11H,1H2
InChIKeySPTXHNLBVUSFJX-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.84
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

(1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene
CID 10754867
(1E)-1-inden-1-ylidene-N,N-dimethylmethanamine
CID 5382445
10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118145492
bis([4-[(E)-inden-1-ylidenemethyl]phenyl]azanide);platinum(4+);dichloride
CID 171376001
(3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile
CID 11008841
(2E)-2-inden-1-ylidene-N,N-dimethylethanamine
CID 6509875
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene
CID 5381750
(1Z)-1-[(2-methoxyphenyl)methylidene]indene
CID 92533355
(9E)-6-[3,5-bis(3,5-diphenylphenyl)phenyl]-9-[(2Z)-penta-2,4-dienylidene]-7,8-dihydrobenzo[7]annulene
CID 142369783
[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
CID 6444348
4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 53315161

Frequently Asked Questions

What is the IUPAC name of 1-penta-2,4-dienylideneindene?
The IUPAC name of 1-penta-2,4-dienylideneindene (CID 91326261) is 1-penta-2,4-dienylideneindene.
What is the SMILES notation for 1-penta-2,4-dienylideneindene?
The canonical SMILES for 1-penta-2,4-dienylideneindene is C=CC=CC=C1C=Cc2ccccc21.
What is the InChIKey of 1-penta-2,4-dienylideneindene?
The InChIKey is SPTXHNLBVUSFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13/h2-11H,1H2.
What are the key properties of 1-penta-2,4-dienylideneindene?
1-penta-2,4-dienylideneindene has a molecular weight of 180.25 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-2,4-dienylideneindene is sourced from PubChem (CID 91326261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).