3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one

C11H17NO2 — CID 116573777

IUPAC3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one
SMILESCC(C)(N)C(C)(C)C(=O)c1ccoc1
InChIInChI=1S/C11H17NO2/c1-10(2,11(3,4)12)9(13)8-5-6-14-7-8/h5-7H,12H2,1-4H3
InChIKeyAMQULOXRYBGELA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.23
Rot. Bonds3

About 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one

3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one (PubChem CID 116573777) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one
PubChem CID116573777
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one
SMILESCC(C)(N)C(C)(C)C(=O)c1ccoc1
InChIInChI=1S/C11H17NO2/c1-10(2,11(3,4)12)9(13)8-5-6-14-7-8/h5-7H,12H2,1-4H3
InChIKeyAMQULOXRYBGELA-UHFFFAOYSA-N
XLogP2.23
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one?
The IUPAC name of 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one (CID 116573777) is 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one.
What is the SMILES notation for 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one?
The canonical SMILES for 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one is CC(C)(N)C(C)(C)C(=O)c1ccoc1.
What is the InChIKey of 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one?
The InChIKey is AMQULOXRYBGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2,11(3,4)12)9(13)8-5-6-14-7-8/h5-7H,12H2,1-4H3.
What are the key properties of 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one?
3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one has a molecular weight of 195.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one is sourced from PubChem (CID 116573777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).