[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone

C14H18O2 — CID 106652204

IUPAC[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)/C1=C/CCCCCC1
InChIInChI=1S/C14H18O2/c1-11-13(9-10-16-11)14(15)12-7-5-3-2-4-6-8-12/h7,9-10H,2-6,8H2,1H3/b12-7+
InChIKeyQNICARNVRMLREQ-KPKJPENVSA-N
MW218.30 g/mol
LogP4.05
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone

[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 106652204) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID106652204
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)/C1=C/CCCCCC1
InChIInChI=1S/C14H18O2/c1-11-13(9-10-16-11)14(15)12-7-5-3-2-4-6-8-12/h7,9-10H,2-6,8H2,1H3/b12-7+
InChIKeyQNICARNVRMLREQ-KPKJPENVSA-N
XLogP4.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
cyclohepten-1-yl-(5-methylfuran-3-yl)methanone
CID 114819598
[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 106655952
cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
CID 103449955
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
cyclohexen-1-yl-(3-methylthiophen-2-yl)methanone
CID 62080304

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone (CID 106652204) is [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)/C1=C/CCCCCC1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is QNICARNVRMLREQ-KPKJPENVSA-N. The full InChI is InChI=1S/C14H18O2/c1-11-13(9-10-16-11)14(15)12-7-5-3-2-4-6-8-12/h7,9-10H,2-6,8H2,1H3/b12-7+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone?
[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 106652204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).