3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide

C16H19N3O2 — CID 63571784

IUPAC3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
SMILESC=CCN(CC=C)Cc1c(C(=O)NN)oc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-3-9-19(10-4-2)11-13-12-7-5-6-8-14(12)21-15(13)16(20)18-17/h3-8H,1-2,9-11,17H2,(H,18,20)
InChIKeyWSNVSDGZKYPWBA-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.21
Rot. Bonds7

About 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide

3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 63571784) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
PubChem CID63571784
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
SMILESC=CCN(CC=C)Cc1c(C(=O)NN)oc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-3-9-19(10-4-2)11-13-12-7-5-6-8-14(12)21-15(13)16(20)18-17/h3-8H,1-2,9-11,17H2,(H,18,20)
InChIKeyWSNVSDGZKYPWBA-UHFFFAOYSA-N
XLogP2.21
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.21
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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Related Compounds

2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63572917
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63959061
3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63574192
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 82735781
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
3-(butan-2-ylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63580272
3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63579425
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63573735
3-[(4-methylpyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578332
3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578144
3-(1H-imidazol-2-ylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 107782845

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide (CID 63571784) is 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide is C=CCN(CC=C)Cc1c(C(=O)NN)oc2ccccc12.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is WSNVSDGZKYPWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-9-19(10-4-2)11-13-12-7-5-6-8-14(12)21-15(13)16(20)18-17/h3-8H,1-2,9-11,17H2,(H,18,20).
What are the key properties of 3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide?
3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 285.35 g/mol, XLogP of 2.21, 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]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 63571784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).