benzohydrazide;propane

C10H16N2O — CID 90709051

IUPACbenzohydrazide;propane
SMILESCCC.NNC(=O)c1ccccc1
InChIInChI=1S/C7H8N2O.C3H8/c8-9-7(10)6-4-2-1-3-5-6;1-3-2/h1-5H,8H2,(H,9,10);3H2,1-2H3
InChIKeyYBGAIZQRNFBDRO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.71
Rot. Bonds1

About benzohydrazide;propane

benzohydrazide;propane (PubChem CID 90709051) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is benzohydrazide;propane.

Molecular Properties

Compound Namebenzohydrazide;propane
PubChem CID90709051
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namebenzohydrazide;propane
SMILESCCC.NNC(=O)c1ccccc1
InChIInChI=1S/C7H8N2O.C3H8/c8-9-7(10)6-4-2-1-3-5-6;1-3-2/h1-5H,8H2,(H,9,10);3H2,1-2H3
InChIKeyYBGAIZQRNFBDRO-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of benzohydrazide;propane?
The IUPAC name of benzohydrazide;propane (CID 90709051) is benzohydrazide;propane.
What is the SMILES notation for benzohydrazide;propane?
The canonical SMILES for benzohydrazide;propane is CCC.NNC(=O)c1ccccc1.
What is the InChIKey of benzohydrazide;propane?
The InChIKey is YBGAIZQRNFBDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C3H8/c8-9-7(10)6-4-2-1-3-5-6;1-3-2/h1-5H,8H2,(H,9,10);3H2,1-2H3.
What are the key properties of benzohydrazide;propane?
benzohydrazide;propane has a molecular weight of 180.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzohydrazide;propane is sourced from PubChem (CID 90709051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).