cyclohepten-1-yl(furan-2-yl)methanone

C12H14O2 — CID 62080320

IUPACcyclohepten-1-yl(furan-2-yl)methanone
SMILESO=C(C1=CCCCCC1)c1ccco1
InChIInChI=1S/C12H14O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h5-6,8-9H,1-4,7H2
InChIKeyUTKDJNXAPUEQSM-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.35
Rot. Bonds2

About cyclohepten-1-yl(furan-2-yl)methanone

cyclohepten-1-yl(furan-2-yl)methanone (PubChem CID 62080320) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is cyclohepten-1-yl(furan-2-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(furan-2-yl)methanone
PubChem CID62080320
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namecyclohepten-1-yl(furan-2-yl)methanone
SMILESO=C(C1=CCCCCC1)c1ccco1
InChIInChI=1S/C12H14O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h5-6,8-9H,1-4,7H2
InChIKeyUTKDJNXAPUEQSM-UHFFFAOYSA-N
XLogP3.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone
CID 106655795
2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
CID 106652204
cyclohepten-1-yl-(5-nitrofuran-2-yl)methanone
CID 55034030
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
N,N-dibenzylcycloheptene-1-carboxamide
CID 101069096
cyclohepten-1-yl-(5-methylfuran-3-yl)methanone
CID 114819598
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937
cyclohexen-1-yl(pyrimidin-2-yl)methanone
CID 106651764
cycloheptene-1-carboxamide
CID 22261654
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide
CID 110865984

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(furan-2-yl)methanone?
The IUPAC name of cyclohepten-1-yl(furan-2-yl)methanone (CID 62080320) is cyclohepten-1-yl(furan-2-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(furan-2-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(furan-2-yl)methanone is O=C(C1=CCCCCC1)c1ccco1.
What is the InChIKey of cyclohepten-1-yl(furan-2-yl)methanone?
The InChIKey is UTKDJNXAPUEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h5-6,8-9H,1-4,7H2.
What are the key properties of cyclohepten-1-yl(furan-2-yl)methanone?
cyclohepten-1-yl(furan-2-yl)methanone has a molecular weight of 190.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(furan-2-yl)methanone is sourced from PubChem (CID 62080320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).