N'-(2-chloroacetyl)octanehydrazide

C10H19ClN2O2 — CID 5171797

IUPACN'-(2-chloroacetyl)octanehydrazide
SMILESCCCCCCCC(=O)NNC(=O)CCl
InChIInChI=1S/C10H19ClN2O2/c1-2-3-4-5-6-7-9(14)12-13-10(15)8-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeySCVUKTVLWUVYCG-UHFFFAOYSA-N
MW234.73 g/mol
LogP1.73
Rot. Bonds7

About N'-(2-chloroacetyl)octanehydrazide

N'-(2-chloroacetyl)octanehydrazide (PubChem CID 5171797) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N'-(2-chloroacetyl)octanehydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)octanehydrazide
PubChem CID5171797
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC NameN'-(2-chloroacetyl)octanehydrazide
SMILESCCCCCCCC(=O)NNC(=O)CCl
InChIInChI=1S/C10H19ClN2O2/c1-2-3-4-5-6-7-9(14)12-13-10(15)8-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeySCVUKTVLWUVYCG-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)octanehydrazide?
The IUPAC name of N'-(2-chloroacetyl)octanehydrazide (CID 5171797) is N'-(2-chloroacetyl)octanehydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)octanehydrazide?
The canonical SMILES for N'-(2-chloroacetyl)octanehydrazide is CCCCCCCC(=O)NNC(=O)CCl.
What is the InChIKey of N'-(2-chloroacetyl)octanehydrazide?
The InChIKey is SCVUKTVLWUVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-2-3-4-5-6-7-9(14)12-13-10(15)8-11/h2-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-(2-chloroacetyl)octanehydrazide?
N'-(2-chloroacetyl)octanehydrazide has a molecular weight of 234.73 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)octanehydrazide is sourced from PubChem (CID 5171797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).