1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one

C8H11NO3 — CID 55292431

IUPAC1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
SMILESCC(=O)C(N)c1ccc(CO)o1
InChIInChI=1S/C8H11NO3/c1-5(11)8(9)7-3-2-6(4-10)12-7/h2-3,8,10H,4,9H2,1H3
InChIKeyGYXMVCWVODULIO-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.36
Rot. Bonds3

About 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one

1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one (PubChem CID 55292431) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
PubChem CID55292431
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
SMILESCC(=O)C(N)c1ccc(CO)o1
InChIInChI=1S/C8H11NO3/c1-5(11)8(9)7-3-2-6(4-10)12-7/h2-3,8,10H,4,9H2,1H3
InChIKeyGYXMVCWVODULIO-UHFFFAOYSA-N
XLogP0.36
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one?
The IUPAC name of 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one (CID 55292431) is 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one.
What is the SMILES notation for 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one?
The canonical SMILES for 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one is CC(=O)C(N)c1ccc(CO)o1.
What is the InChIKey of 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one?
The InChIKey is GYXMVCWVODULIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(11)8(9)7-3-2-6(4-10)12-7/h2-3,8,10H,4,9H2,1H3.
What are the key properties of 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one?
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one is sourced from PubChem (CID 55292431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).