2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one

C9H15NO2 — CID 102652395

IUPAC2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-6(2)8(10)9(11)7-4-3-5-12-7/h4,6,8H,3,5,10H2,1-2H3
InChIKeyQTYZKMFTUVUPLB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one

2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one (PubChem CID 102652395) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one
PubChem CID102652395
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-6(2)8(10)9(11)7-4-3-5-12-7/h4,6,8H,3,5,10H2,1-2H3
InChIKeyQTYZKMFTUVUPLB-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one (CID 102652395) is 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)C1=CCCO1.
What is the InChIKey of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one?
The InChIKey is QTYZKMFTUVUPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)8(10)9(11)7-4-3-5-12-7/h4,6,8H,3,5,10H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one?
2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one is sourced from PubChem (CID 102652395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).