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

C16H19N3O2 — CID 63572917

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESC=CCN(CC=C)Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C16H19N3O2/c1-3-9-19(10-4-2)11-14-15(16(20)18-17)12-7-5-6-8-13(12)21-14/h3-8H,1-2,9-11,17H2,(H,18,20)
InChIKeyFNPDGIXDQMGHLQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.21
Rot. Bonds7

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

2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63572917) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63572917
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESC=CCN(CC=C)Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C16H19N3O2/c1-3-9-19(10-4-2)11-14-15(16(20)18-17)12-7-5-6-8-13(12)21-14/h3-8H,1-2,9-11,17H2,(H,18,20)
InChIKeyFNPDGIXDQMGHLQ-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-[(dipropylamino)methyl]-1-benzofuran-3-carbohydrazide
CID 63569026
3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63571784
2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide
CID 63726386
2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63574025
2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63938947
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63572591
2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63571943
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 55214865
anthracene-9,10-dicarbohydrazide
CID 139611931

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide (CID 63572917) is 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide is C=CCN(CC=C)Cc1oc2ccccc2c1C(=O)NN.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is FNPDGIXDQMGHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-9-19(10-4-2)11-14-15(16(20)18-17)12-7-5-6-8-13(12)21-14/h3-8H,1-2,9-11,17H2,(H,18,20).
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-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 2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63572917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).