4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide

C7H10N2O3 — CID 63576410

IUPAC4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CO
InChIInChI=1S/C7H10N2O3/c1-4-5(3-10)2-6(12-4)7(11)9-8/h2,10H,3,8H2,1H3,(H,9,11)
InChIKeyJKQCAJQSSVMHKD-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.32
Rot. Bonds2

About 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide

4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide (PubChem CID 63576410) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
PubChem CID63576410
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CO
InChIInChI=1S/C7H10N2O3/c1-4-5(3-10)2-6(12-4)7(11)9-8/h2,10H,3,8H2,1H3,(H,9,11)
InChIKeyJKQCAJQSSVMHKD-UHFFFAOYSA-N
XLogP-0.32
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide (CID 63576410) is 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide?
The InChIKey is JKQCAJQSSVMHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-5(3-10)2-6(12-4)7(11)9-8/h2,10H,3,8H2,1H3,(H,9,11).
What are the key properties of 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide?
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide has a molecular weight of 170.17 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63576410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).