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

C7H9NO2 — CID 2831553

IUPAC2-amino-1-(furan-2-yl)propan-1-one
SMILESCC(N)C(=O)c1ccco1
InChIInChI=1S/C7H9NO2/c1-5(8)7(9)6-3-2-4-10-6/h2-5H,8H2,1H3
InChIKeyRPHQQQUBGVAYGH-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.81
Rot. Bonds2

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

2-amino-1-(furan-2-yl)propan-1-one (PubChem CID 2831553) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-amino-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(furan-2-yl)propan-1-one
PubChem CID2831553
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-amino-1-(furan-2-yl)propan-1-one
SMILESCC(N)C(=O)c1ccco1
InChIInChI=1S/C7H9NO2/c1-5(8)7(9)6-3-2-4-10-6/h2-5H,8H2,1H3
InChIKeyRPHQQQUBGVAYGH-UHFFFAOYSA-N
XLogP0.81
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

1-Propanone, 1-(2-furanyl)-
CID 76662
2-(Furan-2-yl)ethan-1-amine
CID 1132863
3-(Furan-2-yl)propan-1-amine
CID 179114
4-(Furan-2-yl)butan-2-amine
CID 2772029
1-(Furan-2-yl)propan-2-amine
CID 2772203
2-Amino-1-(2-furyl)propan-1-one
CID 2831552
2-Amino-3-(furan-2-yl)propanoic acid
CID 11040913
alpha-Oxo-2-furanacetamide
CID 97353
2-(5-Methylfuran-2-yl)ethan-1-amine
CID 14933778
2-(Furan-2-yl)ethan-1-amine hydrochloride
CID 13045548
3-Furan-2-ylalanine
CID 2761503
2-(2''-Aminoethyl)-5-(2''''-furyl)tetrahydrofuran
CID 11600778

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(furan-2-yl)propan-1-one?
The IUPAC name of 2-amino-1-(furan-2-yl)propan-1-one (CID 2831553) is 2-amino-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(furan-2-yl)propan-1-one is CC(N)C(=O)c1ccco1.
What is the InChIKey of 2-amino-1-(furan-2-yl)propan-1-one?
The InChIKey is RPHQQQUBGVAYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5(8)7(9)6-3-2-4-10-6/h2-5H,8H2,1H3.
What are the key properties of 2-amino-1-(furan-2-yl)propan-1-one?
2-amino-1-(furan-2-yl)propan-1-one has a molecular weight of 139.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 2831553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).