1-buta-2,3-dienylcyclopentene

C9H12 — CID 57298575

IUPAC1-buta-2,3-dienylcyclopentene
SMILESC=C=CCC1=CCCC1
InChIInChI=1S/C9H12/c1-2-3-6-9-7-4-5-8-9/h3,7H,1,4-6,8H2
InChIKeySNXNCTQLIRDPQS-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.83
Rot. Bonds2

About 1-buta-2,3-dienylcyclopentene

1-buta-2,3-dienylcyclopentene (PubChem CID 57298575) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1-buta-2,3-dienylcyclopentene.

Molecular Properties

Compound Name1-buta-2,3-dienylcyclopentene
PubChem CID57298575
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1-buta-2,3-dienylcyclopentene
SMILESC=C=CCC1=CCCC1
InChIInChI=1S/C9H12/c1-2-3-6-9-7-4-5-8-9/h3,7H,1,4-6,8H2
InChIKeySNXNCTQLIRDPQS-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.83
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

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cyclopenten-1-ylmethylsilane
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1-[4-(cyclopenten-1-yl)butyl]cyclopentene
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2-(Cyclohex-1-en-1-yl)ethyl
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3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile
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CID 70571219
1-(2-methylbuta-2,3-dienyl)cyclohexene
CID 142934932
1-(methylsulfanylmethyl)cyclopentene
CID 54104763
magnesium;1-propylcyclopentene;bromide
CID 134950901
1-hex-5-enylcyclohexene
CID 123683483
N-[2-(cyclopenten-1-yl)ethyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dienylcyclopentene?
The IUPAC name of 1-buta-2,3-dienylcyclopentene (CID 57298575) is 1-buta-2,3-dienylcyclopentene.
What is the SMILES notation for 1-buta-2,3-dienylcyclopentene?
The canonical SMILES for 1-buta-2,3-dienylcyclopentene is C=C=CCC1=CCCC1.
What is the InChIKey of 1-buta-2,3-dienylcyclopentene?
The InChIKey is SNXNCTQLIRDPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-3-6-9-7-4-5-8-9/h3,7H,1,4-6,8H2.
What are the key properties of 1-buta-2,3-dienylcyclopentene?
1-buta-2,3-dienylcyclopentene has a molecular weight of 120.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dienylcyclopentene is sourced from PubChem (CID 57298575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).