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

C8H13NO2 — CID 102652522

IUPAC2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
SMILESCCC(N)C(=O)C1=CCCO1
InChIInChI=1S/C8H13NO2/c1-2-6(9)8(10)7-4-3-5-11-7/h4,6H,2-3,5,9H2,1H3
InChIKeyGMESTUPZADAQNX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.60
Rot. Bonds3

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

2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one (PubChem CID 102652522) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
PubChem CID102652522
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
SMILESCCC(N)C(=O)C1=CCCO1
InChIInChI=1S/C8H13NO2/c1-2-6(9)8(10)7-4-3-5-11-7/h4,6H,2-3,5,9H2,1H3
InChIKeyGMESTUPZADAQNX-UHFFFAOYSA-N
XLogP0.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.60
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)butan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one (CID 102652522) is 2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one is CCC(N)C(=O)C1=CCCO1.
What is the InChIKey of 2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one?
The InChIKey is GMESTUPZADAQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-6(9)8(10)7-4-3-5-11-7/h4,6H,2-3,5,9H2,1H3.
What are the key properties of 2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one?
2-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.60, 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)butan-1-one is sourced from PubChem (CID 102652522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).