2-propylbenzohydrazide

C10H14N2O — CID 140653675

IUPAC2-propylbenzohydrazide
SMILESCCCc1ccccc1C(=O)NN
InChIInChI=1S/C10H14N2O/c1-2-5-8-6-3-4-7-9(8)10(13)12-11/h3-4,6-7H,2,5,11H2,1H3,(H,12,13)
InChIKeyPTICEGHHCJJEMT-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.24
Rot. Bonds3

About 2-propylbenzohydrazide

2-propylbenzohydrazide (PubChem CID 140653675) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-propylbenzohydrazide.

Molecular Properties

Compound Name2-propylbenzohydrazide
PubChem CID140653675
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-propylbenzohydrazide
SMILESCCCc1ccccc1C(=O)NN
InChIInChI=1S/C10H14N2O/c1-2-5-8-6-3-4-7-9(8)10(13)12-11/h3-4,6-7H,2,5,11H2,1H3,(H,12,13)
InChIKeyPTICEGHHCJJEMT-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(methylamino)ethyl]benzohydrazide
CID 104547939
2-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 55212652
methane;methyl 2-propylbenzoate
CID 167647144
2-(3,4,4-trifluorobut-3-enyl)benzohydrazide
CID 152530690
barium(2+);bis(2-propylbenzoate)
CID 101299930
2-bromo-1-(2-propylphenyl)ethanone
CID 22121427
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
2-[2-tri(propan-2-yl)silyloxyethyl]benzohydrazide
CID 177468032
2-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001
butyl 2-propylbenzoate
CID 20558593
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]benzohydrazide
CID 141421463

Frequently Asked Questions

What is the IUPAC name of 2-propylbenzohydrazide?
The IUPAC name of 2-propylbenzohydrazide (CID 140653675) is 2-propylbenzohydrazide.
What is the SMILES notation for 2-propylbenzohydrazide?
The canonical SMILES for 2-propylbenzohydrazide is CCCc1ccccc1C(=O)NN.
What is the InChIKey of 2-propylbenzohydrazide?
The InChIKey is PTICEGHHCJJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-5-8-6-3-4-7-9(8)10(13)12-11/h3-4,6-7H,2,5,11H2,1H3,(H,12,13).
What are the key properties of 2-propylbenzohydrazide?
2-propylbenzohydrazide has a molecular weight of 178.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylbenzohydrazide is sourced from PubChem (CID 140653675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).