cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone

C13H16O2 — CID 79096660

IUPACcyclohexen-1-yl-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2=CCCCC2)o1
InChIInChI=1S/C13H16O2/c1-2-11-8-9-12(15-11)13(14)10-6-4-3-5-7-10/h6,8-9H,2-5,7H2,1H3
InChIKeyPZNXDGPIPXDRCG-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.53
Rot. Bonds3

About cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone

cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone (PubChem CID 79096660) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(5-ethylfuran-2-yl)methanone
PubChem CID79096660
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namecyclohexen-1-yl-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2=CCCCC2)o1
InChIInChI=1S/C13H16O2/c1-2-11-8-9-12(15-11)13(14)10-6-4-3-5-7-10/h6,8-9H,2-5,7H2,1H3
InChIKeyPZNXDGPIPXDRCG-UHFFFAOYSA-N
XLogP3.53
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone
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cyclohepten-1-yl(furan-2-yl)methanone
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1-(cyclohexen-1-yl)ethanone;propane
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5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide
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5-ethyl-N-methylfuran-2-carboxamide
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1-(5-ethylfuran-2-yl)butan-1-one
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1-(5-ethylfuran-2-yl)prop-2-yn-1-one
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ethyl cycloundecene-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone (CID 79096660) is cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)C2=CCCCC2)o1.
What is the InChIKey of cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone?
The InChIKey is PZNXDGPIPXDRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-11-8-9-12(15-11)13(14)10-6-4-3-5-7-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone?
cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone has a molecular weight of 204.27 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 79096660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).