2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one

C11H17NO2 — CID 79064147

IUPAC2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)c1ccoc1)N(C)C
InChIInChI=1S/C11H17NO2/c1-5-11(2,12(3)4)10(13)9-6-7-14-8-9/h6-8H,5H2,1-4H3
InChIKeyRIICOUFKZZQUBP-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.19
Rot. Bonds4

About 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one

2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one (PubChem CID 79064147) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one
PubChem CID79064147
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)c1ccoc1)N(C)C
InChIInChI=1S/C11H17NO2/c1-5-11(2,12(3)4)10(13)9-6-7-14-8-9/h6-8H,5H2,1-4H3
InChIKeyRIICOUFKZZQUBP-UHFFFAOYSA-N
XLogP2.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-2-hydroxy-2-methylpropan-1-one
CID 15504484
2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one
CID 116747226
3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one
CID 116573777
N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
CID 114314292
N-butyl-N-methylfuran-3-carboxamide
CID 110855744
2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one
CID 64759760
furan-3-carboxylic acid;dihydrochloride
CID 141114987
N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
CID 106168112
ethyl furan-3-carboxylate;furan-3-carboxylic acid
CID 158096971
1-(2,3-dihydrofuran-5-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102651010
ethane;1-(furan-3-yl)ethanone;methane
CID 145092753
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
CID 79052290

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one (CID 79064147) is 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one is CCC(C)(C(=O)c1ccoc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one?
The InChIKey is RIICOUFKZZQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-11(2,12(3)4)10(13)9-6-7-14-8-9/h6-8H,5H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one?
2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one has a molecular weight of 195.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one is sourced from PubChem (CID 79064147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).