[(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene

C16H18 — CID 154715098

IUPAC[(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene
SMILESC=C1CCC=C1/C(=C\c1ccccc1)CC
InChIInChI=1S/C16H18/c1-3-15(16-11-7-8-13(16)2)12-14-9-5-4-6-10-14/h4-6,9-12H,2-3,7-8H2,1H3/b15-12-
InChIKeyNCCXUIIJUCIPGE-QINSGFPZSA-N
MW210.32 g/mol
LogP4.76
Rot. Bonds3

About [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene

[(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene (PubChem CID 154715098) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene
PubChem CID154715098
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name[(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene
SMILESC=C1CCC=C1/C(=C\c1ccccc1)CC
InChIInChI=1S/C16H18/c1-3-15(16-11-7-8-13(16)2)12-14-9-5-4-6-10-14/h4-6,9-12H,2-3,7-8H2,1H3/b15-12-
InChIKeyNCCXUIIJUCIPGE-QINSGFPZSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-(1-phenylbut-1-en-2-yl)phenol
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1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
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[(E)-2-bromobut-1-enyl]benzene
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methyl 2-benzylidene-3-oxopentanoate
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[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene
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[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene
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2-(chloromethyl)but-1-enylbenzene
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CID 135080947

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene?
The IUPAC name of [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene (CID 154715098) is [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene?
The canonical SMILES for [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene is C=C1CCC=C1/C(=C\c1ccccc1)CC.
What is the InChIKey of [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene?
The InChIKey is NCCXUIIJUCIPGE-QINSGFPZSA-N. The full InChI is InChI=1S/C16H18/c1-3-15(16-11-7-8-13(16)2)12-14-9-5-4-6-10-14/h4-6,9-12H,2-3,7-8H2,1H3/b15-12-.
What are the key properties of [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene?
[(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene has a molecular weight of 210.32 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene is sourced from PubChem (CID 154715098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).