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

C7H11NO2 — CID 102652402

IUPAC3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one
SMILESNCCC(=O)C1=CCCO1
InChIInChI=1S/C7H11NO2/c8-4-3-6(9)7-2-1-5-10-7/h2H,1,3-5,8H2
InChIKeyWTRCHYQLACYUNL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds3

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

3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one (PubChem CID 102652402) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one
PubChem CID102652402
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one
SMILESNCCC(=O)C1=CCCO1
InChIInChI=1S/C7H11NO2/c8-4-3-6(9)7-2-1-5-10-7/h2H,1,3-5,8H2
InChIKeyWTRCHYQLACYUNL-UHFFFAOYSA-N
XLogP0.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one (CID 102652402) is 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one is NCCC(=O)C1=CCCO1.
What is the InChIKey of 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The InChIKey is WTRCHYQLACYUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-4-3-6(9)7-2-1-5-10-7/h2H,1,3-5,8H2.
What are the key properties of 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one?
3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one has a molecular weight of 141.17 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydrofuran-5-yl)propan-1-one is sourced from PubChem (CID 102652402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).