1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene

C13H15I — CID 130943745

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene
SMILESIc1ccc(CCC2=CCCC2)cc1
InChIInChI=1S/C13H15I/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h3,7-10H,1-2,4-6H2
InChIKeyWDUQXPDTGDNCDR-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.33
Rot. Bonds3

About 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene

1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene (PubChem CID 130943745) has the molecular formula C13H15I and a molecular weight of 298.17 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene
PubChem CID130943745
Molecular FormulaC13H15I
Molecular Weight298.17 g/mol
Exact Mass298.02
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene
SMILESIc1ccc(CCC2=CCCC2)cc1
InChIInChI=1S/C13H15I/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h3,7-10H,1-2,4-6H2
InChIKeyWDUQXPDTGDNCDR-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
4-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 130943734
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
CID 63563087
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
magnesium;1-propylcyclopentene;bromide
CID 134950901
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
CID 114153815
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
1-(4-bromobutyl)cyclopentene
CID 14243708
1-(2-methoxyethyl)cyclopentene
CID 23262422
3-[2-(cyclohexen-1-yl)ethyl]azetidine
CID 131181697

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene (CID 130943745) is 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene is Ic1ccc(CCC2=CCCC2)cc1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene?
The InChIKey is WDUQXPDTGDNCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15I/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h3,7-10H,1-2,4-6H2.
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene?
1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene has a molecular weight of 298.17 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene is sourced from PubChem (CID 130943745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).