N'-(2-chloropropanoyl)-3-methylbutanehydrazide

C8H15ClN2O2 — CID 54592767

IUPACN'-(2-chloropropanoyl)-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNC(=O)C(C)Cl
InChIInChI=1S/C8H15ClN2O2/c1-5(2)4-7(12)10-11-8(13)6(3)9/h5-6H,4H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyCAGQBMMDCRAQOL-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.81
Rot. Bonds3

About N'-(2-chloropropanoyl)-3-methylbutanehydrazide

N'-(2-chloropropanoyl)-3-methylbutanehydrazide (PubChem CID 54592767) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is N'-(2-chloropropanoyl)-3-methylbutanehydrazide.

Molecular Properties

Compound NameN'-(2-chloropropanoyl)-3-methylbutanehydrazide
PubChem CID54592767
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC NameN'-(2-chloropropanoyl)-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNC(=O)C(C)Cl
InChIInChI=1S/C8H15ClN2O2/c1-5(2)4-7(12)10-11-8(13)6(3)9/h5-6H,4H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyCAGQBMMDCRAQOL-UHFFFAOYSA-N
XLogP0.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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'-(2-chloropropanoyl)-3-methylbutanehydrazide?
The IUPAC name of N'-(2-chloropropanoyl)-3-methylbutanehydrazide (CID 54592767) is N'-(2-chloropropanoyl)-3-methylbutanehydrazide.
What is the SMILES notation for N'-(2-chloropropanoyl)-3-methylbutanehydrazide?
The canonical SMILES for N'-(2-chloropropanoyl)-3-methylbutanehydrazide is CC(C)CC(=O)NNC(=O)C(C)Cl.
What is the InChIKey of N'-(2-chloropropanoyl)-3-methylbutanehydrazide?
The InChIKey is CAGQBMMDCRAQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-5(2)4-7(12)10-11-8(13)6(3)9/h5-6H,4H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N'-(2-chloropropanoyl)-3-methylbutanehydrazide?
N'-(2-chloropropanoyl)-3-methylbutanehydrazide has a molecular weight of 206.67 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloropropanoyl)-3-methylbutanehydrazide is sourced from PubChem (CID 54592767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).