N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide

C12H12N2O2 — CID 54267096

IUPACN'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide
SMILESCc1cccc(-c2ccc(C(N)=NO)o2)c1
InChIInChI=1S/C12H12N2O2/c1-8-3-2-4-9(7-8)10-5-6-11(16-10)12(13)14-15/h2-7,15H,1H3,(H2,13,14)
InChIKeyRHNMNKHEGMHBNE-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.35
Rot. Bonds2

About N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide

N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide (PubChem CID 54267096) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide
PubChem CID54267096
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide
SMILESCc1cccc(-c2ccc(C(N)=NO)o2)c1
InChIInChI=1S/C12H12N2O2/c1-8-3-2-4-9(7-8)10-5-6-11(16-10)12(13)14-15/h2-7,15H,1H3,(H2,13,14)
InChIKeyRHNMNKHEGMHBNE-UHFFFAOYSA-N
XLogP2.35
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylphenyl)furan-2-carboxylate
CID 6957364
N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 173108133
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
[5-(3-methylphenyl)furan-2-yl]methanamine
CID 28804201
N-[N'-[[amino-[[5-(2-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methylphenyl)furan-2-carboxamide
CID 136509951
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol
CID 62633648
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine
CID 112518464
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
4,9,14-tris(3-methylphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102106371

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide (CID 54267096) is N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide is Cc1cccc(-c2ccc(C(N)=NO)o2)c1.
What is the InChIKey of N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide?
The InChIKey is RHNMNKHEGMHBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-2-4-9(7-8)10-5-6-11(16-10)12(13)14-15/h2-7,15H,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide?
N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide has a molecular weight of 216.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide is sourced from PubChem (CID 54267096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).