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

C8H13NO2 — CID 102652411

IUPAC4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
SMILESNCCCC(=O)C1=CCCO1
InChIInChI=1S/C8H13NO2/c9-5-1-3-7(10)8-4-2-6-11-8/h4H,1-3,5-6,9H2
InChIKeyVJRUOQVGFMSENV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.60
Rot. Bonds4

About 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one

4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one (PubChem CID 102652411) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
PubChem CID102652411
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
SMILESNCCCC(=O)C1=CCCO1
InChIInChI=1S/C8H13NO2/c9-5-1-3-7(10)8-4-2-6-11-8/h4H,1-3,5-6,9H2
InChIKeyVJRUOQVGFMSENV-UHFFFAOYSA-N
XLogP0.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

5-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one
CID 102652629
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648616
1-(2,3-dihydrofuran-5-yl)-2-methoxyethanone
CID 102650887
1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146941
2-(4-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanone
CID 102650858
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648441
1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 102650916
N-(2-methylbutan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130684532
2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 102652553
7-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)heptan-1-one
CID 116551530
2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one
CID 102652408

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one?
The IUPAC name of 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one (CID 102652411) is 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one is NCCCC(=O)C1=CCCO1.
What is the InChIKey of 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one?
The InChIKey is VJRUOQVGFMSENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-5-1-3-7(10)8-4-2-6-11-8/h4H,1-3,5-6,9H2.
What are the key properties of 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one?
4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one is sourced from PubChem (CID 102652411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).