5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one

C11H17NO2 — CID 116956238

IUPAC5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one
SMILESCNC(CCC(C)=O)c1ccc(C)o1
InChIInChI=1S/C11H17NO2/c1-8(13)4-6-10(12-3)11-7-5-9(2)14-11/h5,7,10,12H,4,6H2,1-3H3
InChIKeySQPSVUBJHAQZGF-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.22
Rot. Bonds5

About 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one

5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one (PubChem CID 116956238) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one
PubChem CID116956238
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one
SMILESCNC(CCC(C)=O)c1ccc(C)o1
InChIInChI=1S/C11H17NO2/c1-8(13)4-6-10(12-3)11-7-5-9(2)14-11/h5,7,10,12H,4,6H2,1-3H3
InChIKeySQPSVUBJHAQZGF-UHFFFAOYSA-N
XLogP2.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116948630
N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116949510
5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one
CID 116956164
5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one
CID 147480701
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
5-(1,3-benzodioxol-5-yl)-5-(methylamino)pentan-2-one
CID 116956150
4-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]benzoic acid
CID 120552756
9-(5-methylfuran-2-yl)decane-2,3,6-trione
CID 164936095
deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen
CID 159933165
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116957574
10-(5-methylfuran-2-yl)decane-2,5,8-trione
CID 154620502

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one?
The IUPAC name of 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one (CID 116956238) is 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one.
What is the SMILES notation for 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one?
The canonical SMILES for 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one is CNC(CCC(C)=O)c1ccc(C)o1.
What is the InChIKey of 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one?
The InChIKey is SQPSVUBJHAQZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(13)4-6-10(12-3)11-7-5-9(2)14-11/h5,7,10,12H,4,6H2,1-3H3.
What are the key properties of 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one?
5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one is sourced from PubChem (CID 116956238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).