3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one

C10H15NO2 — CID 116915783

IUPAC3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
SMILESCc1ccc(C(=O)CC(C)(C)N)o1
InChIInChI=1S/C10H15NO2/c1-7-4-5-9(13-7)8(12)6-10(2,3)11/h4-5H,6,11H2,1-3H3
InChIKeyGBJVOUANFNPPFR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.90
Rot. Bonds3

About 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one

3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one (PubChem CID 116915783) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
PubChem CID116915783
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
SMILESCc1ccc(C(=O)CC(C)(C)N)o1
InChIInChI=1S/C10H15NO2/c1-7-4-5-9(13-7)8(12)6-10(2,3)11/h4-5H,6,11H2,1-3H3
InChIKeyGBJVOUANFNPPFR-UHFFFAOYSA-N
XLogP1.90
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one?
The IUPAC name of 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one (CID 116915783) is 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one is Cc1ccc(C(=O)CC(C)(C)N)o1.
What is the InChIKey of 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one?
The InChIKey is GBJVOUANFNPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-4-5-9(13-7)8(12)6-10(2,3)11/h4-5H,6,11H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one?
3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one has a molecular weight of 181.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one is sourced from PubChem (CID 116915783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).