3-amino-1-(furan-2-yl)propan-1-one

C7H9NO2 — CID 55255206

IUPAC3-amino-1-(furan-2-yl)propan-1-one
SMILESNCCC(=O)c1ccco1
InChIInChI=1S/C7H9NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3-4,8H2
InChIKeyPNZQRUGPAVHCNQ-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.81
Rot. Bonds3

About 3-amino-1-(furan-2-yl)propan-1-one

3-amino-1-(furan-2-yl)propan-1-one (PubChem CID 55255206) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-amino-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(furan-2-yl)propan-1-one
PubChem CID55255206
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-amino-1-(furan-2-yl)propan-1-one
SMILESNCCC(=O)c1ccco1
InChIInChI=1S/C7H9NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3-4,8H2
InChIKeyPNZQRUGPAVHCNQ-UHFFFAOYSA-N
XLogP0.81
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(furan-2-yl)propan-1-one (CID 55255206) is 3-amino-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(furan-2-yl)propan-1-one is NCCC(=O)c1ccco1.
What is the InChIKey of 3-amino-1-(furan-2-yl)propan-1-one?
The InChIKey is PNZQRUGPAVHCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3-4,8H2.
What are the key properties of 3-amino-1-(furan-2-yl)propan-1-one?
3-amino-1-(furan-2-yl)propan-1-one has a molecular weight of 139.15 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 55255206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).