2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide

C14H14N2O3 — CID 833135

IUPAC2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C14H14N2O3/c1-10-12(7-8-19-10)14(18)16-15-13(17)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyPFJCQWNSEOWGBL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.59
Rot. Bonds3

About 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide

2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide (PubChem CID 833135) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide
PubChem CID833135
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C14H14N2O3/c1-10-12(7-8-19-10)14(18)16-15-13(17)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyPFJCQWNSEOWGBL-UHFFFAOYSA-N
XLogP1.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide (CID 833135) is 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide?
The InChIKey is PFJCQWNSEOWGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-12(7-8-19-10)14(18)16-15-13(17)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide?
2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide has a molecular weight of 258.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-phenylacetyl)furan-3-carbohydrazide is sourced from PubChem (CID 833135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).