1-(cyclopenten-1-yl)-3-ethylbenzene

C13H16 — CID 150038246

IUPAC1-(cyclopenten-1-yl)-3-ethylbenzene
SMILESCCc1cccc(C2=CCCC2)c1
InChIInChI=1S/C13H16/c1-2-11-6-5-9-13(10-11)12-7-3-4-8-12/h5-7,9-10H,2-4,8H2,1H3
InChIKeyDISLZDIPGGKVFZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.82
Rot. Bonds2

About 1-(cyclopenten-1-yl)-3-ethylbenzene

1-(cyclopenten-1-yl)-3-ethylbenzene (PubChem CID 150038246) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3-ethylbenzene.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3-ethylbenzene
PubChem CID150038246
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-(cyclopenten-1-yl)-3-ethylbenzene
SMILESCCc1cccc(C2=CCCC2)c1
InChIInChI=1S/C13H16/c1-2-11-6-5-9-13(10-11)12-7-3-4-8-12/h5-7,9-10H,2-4,8H2,1H3
InChIKeyDISLZDIPGGKVFZ-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-chloro-1-(3-ethylphenyl)cycloheptene
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1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
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CID 143725407
CID 143725407
1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene
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4-(cyclopenten-1-yl)-1,2-dimethoxybenzene
CID 71373642
cyclopentene;3-(cyclopenten-1-yl)benzaldehyde;[3-(cyclopenten-1-yl)phenyl]methanol;ethyl 3-(cyclopenten-1-yl)benzoate;ethyl 3-iodobenzoate
CID 159341084

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3-ethylbenzene?
The IUPAC name of 1-(cyclopenten-1-yl)-3-ethylbenzene (CID 150038246) is 1-(cyclopenten-1-yl)-3-ethylbenzene.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3-ethylbenzene?
The canonical SMILES for 1-(cyclopenten-1-yl)-3-ethylbenzene is CCc1cccc(C2=CCCC2)c1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3-ethylbenzene?
The InChIKey is DISLZDIPGGKVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-2-11-6-5-9-13(10-11)12-7-3-4-8-12/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-3-ethylbenzene?
1-(cyclopenten-1-yl)-3-ethylbenzene has a molecular weight of 172.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3-ethylbenzene is sourced from PubChem (CID 150038246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).