furan-3-carboximidamide

C5H6N2O — CID 2779667

IUPACfuran-3-carboximidamide
SMILES[H]/N=C(\N)c1ccoc1
InChIInChI=1S/C5H6N2O/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)
InChIKeyNPTVCIGQICWSLH-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.56
Rot. Bonds1

About furan-3-carboximidamide

furan-3-carboximidamide (PubChem CID 2779667) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is furan-3-carboximidamide.

Molecular Properties

Compound Namefuran-3-carboximidamide
PubChem CID2779667
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Namefuran-3-carboximidamide
SMILES[H]/N=C(\N)c1ccoc1
InChIInChI=1S/C5H6N2O/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)
InChIKeyNPTVCIGQICWSLH-UHFFFAOYSA-N
XLogP0.56
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(Furan-3-yl)methanamine
CID 2776197
Furan-3-carboxamidine hydrochloride
CID 2779666
Furan-3-carbothioamide
CID 2779671
1-(Furan-3-yl)methanamine hydrochloride
CID 2795087
N'-hydroxyfuran-3-carboximidamide
CID 12266840
1-(Diaminomethylidene)-2-(furan-3-ylmethyl)guanidine
CID 10313385
5-(Furan-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 18935611
3-(Azidomethyl)furan
CID 23068447
Furan-3-ylmethanediamine
CID 54545098
N-(furan-3-ylmethyl)thiohydroxylamine
CID 59695183
N'-methylfuran-3-carboximidamide
CID 64146992
N-hydroxyfuran-3-carboximidamide
CID 73851556

Frequently Asked Questions

What is the IUPAC name of furan-3-carboximidamide?
The IUPAC name of furan-3-carboximidamide (CID 2779667) is furan-3-carboximidamide.
What is the SMILES notation for furan-3-carboximidamide?
The canonical SMILES for furan-3-carboximidamide is [H]/N=C(\N)c1ccoc1.
What is the InChIKey of furan-3-carboximidamide?
The InChIKey is NPTVCIGQICWSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7).
What are the key properties of furan-3-carboximidamide?
furan-3-carboximidamide has a molecular weight of 110.12 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carboximidamide is sourced from PubChem (CID 2779667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).