cyclobutyl 3-methylfuran-2-carboxylate

C10H12O3 — CID 131114203

IUPACcyclobutyl 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OC1CCC1
InChIInChI=1S/C10H12O3/c1-7-5-6-12-9(7)10(11)13-8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyRHZOUHWXQYIMAL-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.30
Rot. Bonds2

About cyclobutyl 3-methylfuran-2-carboxylate

cyclobutyl 3-methylfuran-2-carboxylate (PubChem CID 131114203) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is cyclobutyl 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namecyclobutyl 3-methylfuran-2-carboxylate
PubChem CID131114203
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namecyclobutyl 3-methylfuran-2-carboxylate
SMILESCc1ccoc1C(=O)OC1CCC1
InChIInChI=1S/C10H12O3/c1-7-5-6-12-9(7)10(11)13-8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyRHZOUHWXQYIMAL-UHFFFAOYSA-N
XLogP2.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl 2-methylfuran-3-carboxylate
CID 130662591
piperidin-4-yl 4-[(3-methylfuran-2-carbonyl)amino]benzoate
CID 75430151
[(3-methylfuran-2-carbonyl)amino] cyclohexanecarboxylate
CID 174560408
(3-methylcyclohexyl) 2-methylfuran-3-carboxylate
CID 78840311
cyclopentyl furan-2-carboxylate
CID 565207
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
3-methylfuran-2-carbonyl iodide
CID 143843611
N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide
CID 63391893
cyclobutyl 3-methylbenzoate
CID 530470
cyclohexyl 5-methylfuran-3-carboxylate
CID 23661320
cyclopropyl 2,4-dimethylfuran-3-carboxylate
CID 126987964
(3-methylfuran-2-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 104799669

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 3-methylfuran-2-carboxylate?
The IUPAC name of cyclobutyl 3-methylfuran-2-carboxylate (CID 131114203) is cyclobutyl 3-methylfuran-2-carboxylate.
What is the SMILES notation for cyclobutyl 3-methylfuran-2-carboxylate?
The canonical SMILES for cyclobutyl 3-methylfuran-2-carboxylate is Cc1ccoc1C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl 3-methylfuran-2-carboxylate?
The InChIKey is RHZOUHWXQYIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-5-6-12-9(7)10(11)13-8-3-2-4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of cyclobutyl 3-methylfuran-2-carboxylate?
cyclobutyl 3-methylfuran-2-carboxylate has a molecular weight of 180.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 3-methylfuran-2-carboxylate is sourced from PubChem (CID 131114203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).