(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone

C12H16O2 — CID 107000752

IUPAC(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CC2(C)C)o1
InChIInChI=1S/C12H16O2/c1-4-8-5-6-10(14-8)11(13)9-7-12(9,2)3/h5-6,9H,4,7H2,1-3H3
InChIKeyZPRYKNXOCSAEKZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.07
Rot. Bonds3

About (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone

(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone (PubChem CID 107000752) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
PubChem CID107000752
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)C2CC2(C)C)o1
InChIInChI=1S/C12H16O2/c1-4-8-5-6-10(14-8)11(13)9-7-12(9,2)3/h5-6,9H,4,7H2,1-3H3
InChIKeyZPRYKNXOCSAEKZ-UHFFFAOYSA-N
XLogP3.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
CID 107176518
(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000766
2-cyclopropyl-1-(5-ethylfuran-2-yl)ethanone
CID 62346024
2,3-dihydro-1-benzofuran-2-yl-(5-ethylfuran-2-yl)methanone
CID 62345139
(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107176714
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
1-(5-ethylfuran-2-yl)prop-2-yn-1-one
CID 114978456
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
5-ethyl-N-[1-(hydroxymethyl)cyclopropyl]furan-2-carboxamide
CID 115764668
3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
CID 63710274
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone (CID 107000752) is (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)C2CC2(C)C)o1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is ZPRYKNXOCSAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-8-5-6-10(14-8)11(13)9-7-12(9,2)3/h5-6,9H,4,7H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone?
(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 107000752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).