N'-propan-2-ylbenzohydrazide

C10H14N2O — CID 18869

IUPACN'-propan-2-ylbenzohydrazide
SMILESCC(C)NNC(=O)c1ccccc1
InChIInChI=1S/C10H14N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)
InChIKeyJEDFDJQCNTWWDS-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.33
Rot. Bonds3

About N'-propan-2-ylbenzohydrazide

N'-propan-2-ylbenzohydrazide (PubChem CID 18869) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N'-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-propan-2-ylbenzohydrazide
PubChem CID18869
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN'-propan-2-ylbenzohydrazide
SMILESCC(C)NNC(=O)c1ccccc1
InChIInChI=1S/C10H14N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)
InChIKeyJEDFDJQCNTWWDS-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-propan-2-ylbenzohydrazide?
The IUPAC name of N'-propan-2-ylbenzohydrazide (CID 18869) is N'-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-propan-2-ylbenzohydrazide is CC(C)NNC(=O)c1ccccc1.
What is the InChIKey of N'-propan-2-ylbenzohydrazide?
The InChIKey is JEDFDJQCNTWWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13).
What are the key properties of N'-propan-2-ylbenzohydrazide?
N'-propan-2-ylbenzohydrazide has a molecular weight of 178.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylbenzohydrazide is sourced from PubChem (CID 18869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).