N'-(3-phenylpropanoyl)furan-2-carbohydrazide

C14H14N2O3 — CID 774124

IUPACN'-(3-phenylpropanoyl)furan-2-carbohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccco1
InChIInChI=1S/C14H14N2O3/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,15,17)(H,16,18)
InChIKeyUUPMXKCXSULBAW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.67
Rot. Bonds4

About N'-(3-phenylpropanoyl)furan-2-carbohydrazide

N'-(3-phenylpropanoyl)furan-2-carbohydrazide (PubChem CID 774124) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N'-(3-phenylpropanoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-phenylpropanoyl)furan-2-carbohydrazide
PubChem CID774124
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN'-(3-phenylpropanoyl)furan-2-carbohydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)c1ccco1
InChIInChI=1S/C14H14N2O3/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,15,17)(H,16,18)
InChIKeyUUPMXKCXSULBAW-UHFFFAOYSA-N
XLogP1.67
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.67
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 N'-(3-phenylpropanoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-phenylpropanoyl)furan-2-carbohydrazide (CID 774124) is N'-(3-phenylpropanoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-phenylpropanoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-phenylpropanoyl)furan-2-carbohydrazide is O=C(CCc1ccccc1)NNC(=O)c1ccco1.
What is the InChIKey of N'-(3-phenylpropanoyl)furan-2-carbohydrazide?
The InChIKey is UUPMXKCXSULBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(9-8-11-5-2-1-3-6-11)15-16-14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,15,17)(H,16,18).
What are the key properties of N'-(3-phenylpropanoyl)furan-2-carbohydrazide?
N'-(3-phenylpropanoyl)furan-2-carbohydrazide has a molecular weight of 258.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylpropanoyl)furan-2-carbohydrazide is sourced from PubChem (CID 774124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).