2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one

C11H14O2 — CID 13197923

IUPAC2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one
SMILESCc1ccc(CC2CCCC2=O)o1
InChIInChI=1S/C11H14O2/c1-8-5-6-10(13-8)7-9-3-2-4-11(9)12/h5-6,9H,2-4,7H2,1H3
InChIKeyKTZRWBXGLAIIIK-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.50
Rot. Bonds2

About 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one

2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one (PubChem CID 13197923) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one
PubChem CID13197923
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one
SMILESCc1ccc(CC2CCCC2=O)o1
InChIInChI=1S/C11H14O2/c1-8-5-6-10(13-8)7-9-3-2-4-11(9)12/h5-6,9H,2-4,7H2,1H3
InChIKeyKTZRWBXGLAIIIK-UHFFFAOYSA-N
XLogP2.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one (CID 13197923) is 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one is Cc1ccc(CC2CCCC2=O)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one?
The InChIKey is KTZRWBXGLAIIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-5-6-10(13-8)7-9-3-2-4-11(9)12/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one?
2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 13197923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).