N',N',5-trimethylfuran-2-carbohydrazide

C8H12N2O2 — CID 572939

IUPACN',N',5-trimethylfuran-2-carbohydrazide
SMILESCc1ccc(C(=O)NN(C)C)o1
InChIInChI=1S/C8H12N2O2/c1-6-4-5-7(12-6)8(11)9-10(2)3/h4-5H,1-3H3,(H,9,11)
InChIKeyLSFTVUXGQQCVKI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.79
Rot. Bonds2

About N',N',5-trimethylfuran-2-carbohydrazide

N',N',5-trimethylfuran-2-carbohydrazide (PubChem CID 572939) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N',N',5-trimethylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN',N',5-trimethylfuran-2-carbohydrazide
PubChem CID572939
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN',N',5-trimethylfuran-2-carbohydrazide
SMILESCc1ccc(C(=O)NN(C)C)o1
InChIInChI=1S/C8H12N2O2/c1-6-4-5-7(12-6)8(11)9-10(2)3/h4-5H,1-3H3,(H,9,11)
InChIKeyLSFTVUXGQQCVKI-UHFFFAOYSA-N
XLogP0.79
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N',5-trimethylfuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N',5-trimethylfuran-2-carbohydrazide?
The IUPAC name of N',N',5-trimethylfuran-2-carbohydrazide (CID 572939) is N',N',5-trimethylfuran-2-carbohydrazide.
What is the SMILES notation for N',N',5-trimethylfuran-2-carbohydrazide?
The canonical SMILES for N',N',5-trimethylfuran-2-carbohydrazide is Cc1ccc(C(=O)NN(C)C)o1.
What is the InChIKey of N',N',5-trimethylfuran-2-carbohydrazide?
The InChIKey is LSFTVUXGQQCVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-4-5-7(12-6)8(11)9-10(2)3/h4-5H,1-3H3,(H,9,11).
What are the key properties of N',N',5-trimethylfuran-2-carbohydrazide?
N',N',5-trimethylfuran-2-carbohydrazide has a molecular weight of 168.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',5-trimethylfuran-2-carbohydrazide is sourced from PubChem (CID 572939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).