5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide

C16H18N2O3 — CID 77002080

IUPAC5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COCC=Cc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-12-14(10-15(21-12)16(19)18-17)11-20-9-5-8-13-6-3-2-4-7-13/h2-8,10H,9,11,17H2,1H3,(H,18,19)
InChIKeyMJHCCDNQKGROCY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.42
Rot. Bonds6

About 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide

5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide (PubChem CID 77002080) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide
PubChem CID77002080
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COCC=Cc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-12-14(10-15(21-12)16(19)18-17)11-20-9-5-8-13-6-3-2-4-7-13/h2-8,10H,9,11,17H2,1H3,(H,18,19)
InChIKeyMJHCCDNQKGROCY-UHFFFAOYSA-N
XLogP2.42
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
4-[(3-methoxyphenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63587965
4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63574464
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63574456
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63568934
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide (CID 77002080) is 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1COCC=Cc1ccccc1.
What is the InChIKey of 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide?
The InChIKey is MJHCCDNQKGROCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-14(10-15(21-12)16(19)18-17)11-20-9-5-8-13-6-3-2-4-7-13/h2-8,10H,9,11,17H2,1H3,(H,18,19).
What are the key properties of 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide?
5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide has a molecular weight of 286.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 77002080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).