2-(cyclopenten-1-yl)ethylbenzene

C13H16 — CID 57211956

IUPAC2-(cyclopenten-1-yl)ethylbenzene
SMILESC1=C(CCc2ccccc2)CCC1
InChIInChI=1S/C13H16/c1-2-6-12(7-3-1)10-11-13-8-4-5-9-13/h1-3,6-8H,4-5,9-11H2
InChIKeyRFNBXIZHABVLTK-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.73
Rot. Bonds3

About 2-(cyclopenten-1-yl)ethylbenzene

2-(cyclopenten-1-yl)ethylbenzene (PubChem CID 57211956) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)ethylbenzene.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)ethylbenzene
PubChem CID57211956
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2-(cyclopenten-1-yl)ethylbenzene
SMILESC1=C(CCc2ccccc2)CCC1
InChIInChI=1S/C13H16/c1-2-6-12(7-3-1)10-11-13-8-4-5-9-13/h1-3,6-8H,4-5,9-11H2
InChIKeyRFNBXIZHABVLTK-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclopenten-1-yl)ethyl]-4-iodobenzene
CID 130943745
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937766
2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine
CID 106173509
benzene;2-phenylethylbenzene
CID 18982764
3-(cyclopenten-1-yl)propyl-triphenylphosphanium bromide
CID 11259487
4-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 130943734
2-(3-chlorocyclohexen-1-yl)ethylbenzene
CID 65177340
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)ethylbenzene?
The IUPAC name of 2-(cyclopenten-1-yl)ethylbenzene (CID 57211956) is 2-(cyclopenten-1-yl)ethylbenzene.
What is the SMILES notation for 2-(cyclopenten-1-yl)ethylbenzene?
The canonical SMILES for 2-(cyclopenten-1-yl)ethylbenzene is C1=C(CCc2ccccc2)CCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)ethylbenzene?
The InChIKey is RFNBXIZHABVLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-2-6-12(7-3-1)10-11-13-8-4-5-9-13/h1-3,6-8H,4-5,9-11H2.
What are the key properties of 2-(cyclopenten-1-yl)ethylbenzene?
2-(cyclopenten-1-yl)ethylbenzene has a molecular weight of 172.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)ethylbenzene is sourced from PubChem (CID 57211956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).