3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide

C12H17N3O2 — CID 63571598

IUPAC3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
SMILESC=CCN(CC=C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C12H17N3O2/c1-3-6-15(7-4-2)9-10-5-8-17-11(10)12(16)14-13/h3-5,8H,1-2,6-7,9,13H2,(H,14,16)
InChIKeyGVKYHYDLPYFKHY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.06
Rot. Bonds7

About 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide

3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63571598) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
PubChem CID63571598
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
SMILESC=CCN(CC=C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C12H17N3O2/c1-3-6-15(7-4-2)9-10-5-8-17-11(10)12(16)14-13/h3-5,8H,1-2,6-7,9,13H2,(H,14,16)
InChIKeyGVKYHYDLPYFKHY-UHFFFAOYSA-N
XLogP1.06
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.06
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': 'isolated_alkene', '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 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide (CID 63571598) is 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide is C=CCN(CC=C)Cc1ccoc1C(=O)NN.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is GVKYHYDLPYFKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-6-15(7-4-2)9-10-5-8-17-11(10)12(16)14-13/h3-5,8H,1-2,6-7,9,13H2,(H,14,16).
What are the key properties of 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide?
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 235.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63571598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).