(NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid

C9H15Cl2NO3 — CID 21397747

IUPAC(NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid
SMILESO/N=C1/CCCCC1Cl.O=C(O)CCCl
InChIInChI=1S/C6H10ClNO.C3H5ClO2/c7-5-3-1-2-4-6(5)8-9;4-2-1-3(5)6/h5,9H,1-4H2;1-2H2,(H,5,6)/b8-6-;
InChIKeyBPUWWNCWZAASOH-PHZXCRFESA-N
MW256.13 g/mol
LogP2.70
Rot. Bonds2

About (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid

(NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid (PubChem CID 21397747) has the molecular formula C9H15Cl2NO3 and a molecular weight of 256.13 g/mol. Its IUPAC name is (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid.

Molecular Properties

Compound Name(NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid
PubChem CID21397747
Molecular FormulaC9H15Cl2NO3
Molecular Weight256.13 g/mol
Exact Mass255.04
IUPAC Name(NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid
SMILESO/N=C1/CCCCC1Cl.O=C(O)CCCl
InChIInChI=1S/C6H10ClNO.C3H5ClO2/c7-5-3-1-2-4-6(5)8-9;4-2-1-3(5)6/h5,9H,1-4H2;1-2H2,(H,5,6)/b8-6-;
InChIKeyBPUWWNCWZAASOH-PHZXCRFESA-N
XLogP2.70
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid?
The IUPAC name of (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid (CID 21397747) is (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid.
What is the SMILES notation for (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid?
The canonical SMILES for (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid is O/N=C1/CCCCC1Cl.O=C(O)CCCl.
What is the InChIKey of (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid?
The InChIKey is BPUWWNCWZAASOH-PHZXCRFESA-N. The full InChI is InChI=1S/C6H10ClNO.C3H5ClO2/c7-5-3-1-2-4-6(5)8-9;4-2-1-3(5)6/h5,9H,1-4H2;1-2H2,(H,5,6)/b8-6-;.
What are the key properties of (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid?
(NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid has a molecular weight of 256.13 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-chlorocyclohexylidene)hydroxylamine;3-chloropropanoic acid is sourced from PubChem (CID 21397747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).