4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide

C14H23N3O2 — CID 63570994

IUPAC4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1CCCCCCC1
InChIInChI=1S/C14H23N3O2/c1-11-12(9-13(19-11)14(18)16-15)10-17-7-5-3-2-4-6-8-17/h9H,2-8,10,15H2,1H3,(H,16,18)
InChIKeyNUDGOGXZMPLUQP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.96
Rot. Bonds3

About 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide

4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide (PubChem CID 63570994) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
PubChem CID63570994
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1CCCCCCC1
InChIInChI=1S/C14H23N3O2/c1-11-12(9-13(19-11)14(18)16-15)10-17-7-5-3-2-4-6-8-17/h9H,2-8,10,15H2,1H3,(H,16,18)
InChIKeyNUDGOGXZMPLUQP-UHFFFAOYSA-N
XLogP1.96
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
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-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide (CID 63570994) is 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN1CCCCCCC1.
What is the InChIKey of 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide?
The InChIKey is NUDGOGXZMPLUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-12(9-13(19-11)14(18)16-15)10-17-7-5-3-2-4-6-8-17/h9H,2-8,10,15H2,1H3,(H,16,18).
What are the key properties of 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide?
4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide has a molecular weight of 265.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63570994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).