1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one

C9H13NO2 — CID 82374124

IUPAC1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(N)o1
InChIInChI=1S/C9H13NO2/c1-9(2,3)8(11)6-4-5-7(10)12-6/h4-5H,10H2,1-3H3
InChIKeyNXQZKTGZYFVUDC-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.09
Rot. Bonds1

About 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one

1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 82374124) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one
PubChem CID82374124
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(N)o1
InChIInChI=1S/C9H13NO2/c1-9(2,3)8(11)6-4-5-7(10)12-6/h4-5H,10H2,1-3H3
InChIKeyNXQZKTGZYFVUDC-UHFFFAOYSA-N
XLogP2.09
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one (CID 82374124) is 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc(N)o1.
What is the InChIKey of 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NXQZKTGZYFVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2,3)8(11)6-4-5-7(10)12-6/h4-5H,10H2,1-3H3.
What are the key properties of 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one?
1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 167.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 82374124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).