2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide

C14H13N3O3 — CID 107661566

IUPAC2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1ccc(C#N)cc1OCc1occc1C(=O)NN
InChIInChI=1S/C14H13N3O3/c1-9-2-3-10(7-15)6-12(9)20-8-13-11(4-5-19-13)14(18)17-16/h2-6H,8,16H2,1H3,(H,17,18)
InChIKeyDHTLNPZBRRKDMZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.64
Rot. Bonds4

About 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide

2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide (PubChem CID 107661566) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
PubChem CID107661566
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1ccc(C#N)cc1OCc1occc1C(=O)NN
InChIInChI=1S/C14H13N3O3/c1-9-2-3-10(7-15)6-12(9)20-8-13-11(4-5-19-13)14(18)17-16/h2-6H,8,16H2,1H3,(H,17,18)
InChIKeyDHTLNPZBRRKDMZ-UHFFFAOYSA-N
XLogP1.64
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
CID 63571060
2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide
CID 107661586
ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 39969066
methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 31125107
2-(5-cyano-2-methylphenoxy)acetohydrazide
CID 107661565
2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63568549
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494
methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
CID 55512098
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
CID 63574643
2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide
CID 107661575

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide (CID 107661566) is 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide is Cc1ccc(C#N)cc1OCc1occc1C(=O)NN.
What is the InChIKey of 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is DHTLNPZBRRKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-2-3-10(7-15)6-12(9)20-8-13-11(4-5-19-13)14(18)17-16/h2-6H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide?
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 271.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 107661566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).