2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one

C10H12N2O2 — CID 163756957

IUPAC2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one
SMILESCc1ccc(CNC2=C(N)C(=O)C2)o1
InChIInChI=1S/C10H12N2O2/c1-6-2-3-7(14-6)5-12-8-4-9(13)10(8)11/h2-3,12H,4-5,11H2,1H3
InChIKeyLUXFSMOSGLDYDW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.82
Rot. Bonds3

About 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one

2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one (PubChem CID 163756957) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one.

Molecular Properties

Compound Name2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one
PubChem CID163756957
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one
SMILESCc1ccc(CNC2=C(N)C(=O)C2)o1
InChIInChI=1S/C10H12N2O2/c1-6-2-3-7(14-6)5-12-8-4-9(13)10(8)11/h2-3,12H,4-5,11H2,1H3
InChIKeyLUXFSMOSGLDYDW-UHFFFAOYSA-N
XLogP0.82
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
CID 104788468
5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
3-N-[(5-methylfuran-2-yl)methyl]benzene-1,3-diamine
CID 62525026
6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80646710
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915
3-amino-4-[(5-methylfuran-2-yl)methylamino]benzoic acid
CID 55081894
3-amino-6-methylpyran-2-one
CID 46739881
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one?
The IUPAC name of 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one (CID 163756957) is 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one.
What is the SMILES notation for 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one?
The canonical SMILES for 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one is Cc1ccc(CNC2=C(N)C(=O)C2)o1.
What is the InChIKey of 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one?
The InChIKey is LUXFSMOSGLDYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-2-3-7(14-6)5-12-8-4-9(13)10(8)11/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one?
2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one has a molecular weight of 192.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one is sourced from PubChem (CID 163756957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).