3-isocyanofuran-2-amine

C5H4N2O — CID 54568772

IUPAC3-isocyanofuran-2-amine
SMILES[C-]#[N+]c1ccoc1N
InChIInChI=1S/C5H4N2O/c1-7-4-2-3-8-5(4)6/h2-3H,6H2
InChIKeyZVSUGZCQLCZXBR-UHFFFAOYSA-N
MW108.10 g/mol
LogP1.41
Rot. Bonds

About 3-isocyanofuran-2-amine

3-isocyanofuran-2-amine (PubChem CID 54568772) has the molecular formula C5H4N2O and a molecular weight of 108.10 g/mol. Its IUPAC name is 3-isocyanofuran-2-amine.

Molecular Properties

Compound Name3-isocyanofuran-2-amine
PubChem CID54568772
Molecular FormulaC5H4N2O
Molecular Weight108.10 g/mol
Exact Mass108.03
IUPAC Name3-isocyanofuran-2-amine
SMILES[C-]#[N+]c1ccoc1N
InChIInChI=1S/C5H4N2O/c1-7-4-2-3-8-5(4)6/h2-3H,6H2
InChIKeyZVSUGZCQLCZXBR-UHFFFAOYSA-N
XLogP1.41
TPSA43.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Dinitrofuran
CID 19879835
Furan-2,4-diamine
CID 19935257
Furan-2,3-diamine
CID 21989049
4-Azido-2-aminofuran
CID 129753552
2-N-methylfuran-2,3-diamine
CID 20200448
Furan-2,3-diamine;dihydrochloride
CID 23087846
Furan-2,3,4-triamine
CID 46835340
ethyl (1E)-N-(3-isocyanofuran-2-yl)methanimidate
CID 58332182
3-Isocyano-4-methylfuran-2-amine
CID 59145635
4-Methylfuran-2,3-diamine
CID 69333769
2-(2-Aminofuran-3-yl)guanidine;dihydrochloride
CID 70558335
ethyl N-(3-isocyanofuran-2-yl)methanimidate
CID 76763303

Frequently Asked Questions

What is the IUPAC name of 3-isocyanofuran-2-amine?
The IUPAC name of 3-isocyanofuran-2-amine (CID 54568772) is 3-isocyanofuran-2-amine.
What is the SMILES notation for 3-isocyanofuran-2-amine?
The canonical SMILES for 3-isocyanofuran-2-amine is [C-]#[N+]c1ccoc1N.
What is the InChIKey of 3-isocyanofuran-2-amine?
The InChIKey is ZVSUGZCQLCZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O/c1-7-4-2-3-8-5(4)6/h2-3H,6H2.
What are the key properties of 3-isocyanofuran-2-amine?
3-isocyanofuran-2-amine has a molecular weight of 108.10 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanofuran-2-amine is sourced from PubChem (CID 54568772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).