1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene

C21H22 — CID 138984235

IUPAC1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene
SMILESCc1ccccc1/C=C1\CCC(C=Cc2ccccc2)C1
InChIInChI=1S/C21H22/c1-17-7-5-6-10-21(17)16-20-14-13-19(15-20)12-11-18-8-3-2-4-9-18/h2-12,16,19H,13-15H2,1H3/b12-11?,20-16+
InChIKeyFLNQQHYWWBBCTP-GBTLCYIUSA-N
MW274.41 g/mol
LogP5.89
Rot. Bonds3

About 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene

1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene (PubChem CID 138984235) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene
PubChem CID138984235
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene
SMILESCc1ccccc1/C=C1\CCC(C=Cc2ccccc2)C1
InChIInChI=1S/C21H22/c1-17-7-5-6-10-21(17)16-20-14-13-19(15-20)12-11-18-8-3-2-4-9-18/h2-12,16,19H,13-15H2,1H3/b12-11?,20-16+
InChIKeyFLNQQHYWWBBCTP-GBTLCYIUSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene?
The IUPAC name of 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene (CID 138984235) is 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene.
What is the SMILES notation for 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene?
The canonical SMILES for 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene is Cc1ccccc1/C=C1\CCC(C=Cc2ccccc2)C1.
What is the InChIKey of 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene?
The InChIKey is FLNQQHYWWBBCTP-GBTLCYIUSA-N. The full InChI is InChI=1S/C21H22/c1-17-7-5-6-10-21(17)16-20-14-13-19(15-20)12-11-18-8-3-2-4-9-18/h2-12,16,19H,13-15H2,1H3/b12-11?,20-16+.
What are the key properties of 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene?
1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene has a molecular weight of 274.41 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-[3-(2-phenylethenyl)cyclopentylidene]methyl]benzene is sourced from PubChem (CID 138984235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).