2-(5-methylfuran-2-yl)ethanimidamide

C7H10N2O — CID 83676174

IUPAC2-(5-methylfuran-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(C)o1
InChIInChI=1S/C7H10N2O/c1-5-2-3-6(10-5)4-7(8)9/h2-3H,4H2,1H3,(H3,8,9)
InChIKeyMLKWZFQWETYUGP-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.07
Rot. Bonds2

About 2-(5-methylfuran-2-yl)ethanimidamide

2-(5-methylfuran-2-yl)ethanimidamide (PubChem CID 83676174) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)ethanimidamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)ethanimidamide
PubChem CID83676174
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-(5-methylfuran-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(C)o1
InChIInChI=1S/C7H10N2O/c1-5-2-3-6(10-5)4-7(8)9/h2-3H,4H2,1H3,(H3,8,9)
InChIKeyMLKWZFQWETYUGP-UHFFFAOYSA-N
XLogP1.07
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.07
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-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 60723769
2-(2-chlorobut-2-enyl)-5-methylfuran
CID 174535453
2-(2-hydroxy-5-methylphenyl)ethanimidamide
CID 83676586
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
azane;(5-methylfuran-2-yl)methanol
CID 175565780
2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide
CID 112712047
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 119038953
2-(2,4,6-trimethylphenyl)ethanimidamide
CID 3660165
2-phenylethanimidamide
CID 27787
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 23130688

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)ethanimidamide?
The IUPAC name of 2-(5-methylfuran-2-yl)ethanimidamide (CID 83676174) is 2-(5-methylfuran-2-yl)ethanimidamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)ethanimidamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)ethanimidamide is [H]/N=C(\N)Cc1ccc(C)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)ethanimidamide?
The InChIKey is MLKWZFQWETYUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-2-3-6(10-5)4-7(8)9/h2-3H,4H2,1H3,(H3,8,9).
What are the key properties of 2-(5-methylfuran-2-yl)ethanimidamide?
2-(5-methylfuran-2-yl)ethanimidamide has a molecular weight of 138.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)ethanimidamide is sourced from PubChem (CID 83676174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).