3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one

C10H11NO4 — CID 101416081

IUPAC3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one
SMILESO=C1OC=CC1CNCC1C=COC1=O
InChIInChI=1S/C10H11NO4/c12-9-7(1-3-14-9)5-11-6-8-2-4-15-10(8)13/h1-4,7-8,11H,5-6H2
InChIKeySFFGUTCUAULVOX-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.05
Rot. Bonds4

About 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one

3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one (PubChem CID 101416081) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one.

Molecular Properties

Compound Name3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one
PubChem CID101416081
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one
SMILESO=C1OC=CC1CNCC1C=COC1=O
InChIInChI=1S/C10H11NO4/c12-9-7(1-3-14-9)5-11-6-8-2-4-15-10(8)13/h1-4,7-8,11H,5-6H2
InChIKeySFFGUTCUAULVOX-UHFFFAOYSA-N
XLogP-0.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(cyclopentylamino)methyl]-3H-furan-2-one
CID 68737930
3H-furan-2-one;pyrrolidine
CID 158072997

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one?
The IUPAC name of 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one (CID 101416081) is 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one.
What is the SMILES notation for 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one?
The canonical SMILES for 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one is O=C1OC=CC1CNCC1C=COC1=O.
What is the InChIKey of 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one?
The InChIKey is SFFGUTCUAULVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9-7(1-3-14-9)5-11-6-8-2-4-15-10(8)13/h1-4,7-8,11H,5-6H2.
What are the key properties of 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one?
3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one has a molecular weight of 209.20 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-oxo-3H-furan-3-yl)methylamino]methyl]-3H-furan-2-one is sourced from PubChem (CID 101416081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).