5-(aminomethyl)furan-3-one

C5H7NO2 — CID 148940988

IUPAC5-(aminomethyl)furan-3-one
SMILESNCC1=CC(=O)CO1
InChIInChI=1S/C5H7NO2/c6-2-5-1-4(7)3-8-5/h1H,2-3,6H2
InChIKeyPNXASACQZLFLJH-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.57
Rot. Bonds1

About 5-(aminomethyl)furan-3-one

5-(aminomethyl)furan-3-one (PubChem CID 148940988) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-(aminomethyl)furan-3-one.

Molecular Properties

Compound Name5-(aminomethyl)furan-3-one
PubChem CID148940988
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name5-(aminomethyl)furan-3-one
SMILESNCC1=CC(=O)CO1
InChIInChI=1S/C5H7NO2/c6-2-5-1-4(7)3-8-5/h1H,2-3,6H2
InChIKeyPNXASACQZLFLJH-UHFFFAOYSA-N
XLogP-0.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Kojic amine
CID 3841
2-Aminomethyl-5-methoxy-pyran-4-one
CID 5079829
(5-Methoxy-4-oxopyran-2-yl)methylazanium bromide
CID 14876279
6-(Azaniumylmethyl)-4-oxopyran-3-olate
CID 32915200
2-(Aminomethyl)-5-butoxypyran-4-one
CID 82064025
7-(Aminomethyl)oxepin-3-one
CID 122696644
2-(Aminomethyl)-5-methoxy-4H-pyran-4-one--hydrogen bromide (1/1)
CID 24213127
2-(Aminomethyl)-5-propoxy-4H-pyran-4-one
CID 42625908
2-(Aminomethyl)-5-ethoxypyran-4-one
CID 82063231
2-(Aminomethyl)-5-(2-methylpropoxy)pyran-4-one
CID 82064031
2-(2-Aminoethoxy)-1-(2,3-dihydrofuran-5-yl)ethanone
CID 102652546
2-(aminomethyl)-3-methoxy-4H-pyran-4-one
CID 154814353

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)furan-3-one?
The IUPAC name of 5-(aminomethyl)furan-3-one (CID 148940988) is 5-(aminomethyl)furan-3-one.
What is the SMILES notation for 5-(aminomethyl)furan-3-one?
The canonical SMILES for 5-(aminomethyl)furan-3-one is NCC1=CC(=O)CO1.
What is the InChIKey of 5-(aminomethyl)furan-3-one?
The InChIKey is PNXASACQZLFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c6-2-5-1-4(7)3-8-5/h1H,2-3,6H2.
What are the key properties of 5-(aminomethyl)furan-3-one?
5-(aminomethyl)furan-3-one has a molecular weight of 113.12 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)furan-3-one is sourced from PubChem (CID 148940988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).