N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide

C13H14N2O2 — CID 2361491

IUPACN'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)C1CC1
InChIInChI=1S/C13H14N2O2/c16-12(14-15-13(17)11-7-8-11)9-6-10-4-2-1-3-5-10/h1-6,9,11H,7-8H2,(H,14,16)(H,15,17)/b9-6+
InChIKeyDGQXYIVRJSXMFF-RMKNXTFCSA-N
MW230.27 g/mol
LogP1.26
Rot. Bonds3

About N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide

N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide (PubChem CID 2361491) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide
PubChem CID2361491
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)C1CC1
InChIInChI=1S/C13H14N2O2/c16-12(14-15-13(17)11-7-8-11)9-6-10-4-2-1-3-5-10/h1-6,9,11H,7-8H2,(H,14,16)(H,15,17)/b9-6+
InChIKeyDGQXYIVRJSXMFF-RMKNXTFCSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide (CID 2361491) is N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide is O=C(/C=C/c1ccccc1)NNC(=O)C1CC1.
What is the InChIKey of N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide?
The InChIKey is DGQXYIVRJSXMFF-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12(14-15-13(17)11-7-8-11)9-6-10-4-2-1-3-5-10/h1-6,9,11H,7-8H2,(H,14,16)(H,15,17)/b9-6+.
What are the key properties of N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide?
N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide has a molecular weight of 230.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-phenylprop-2-enoyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 2361491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).