benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine

C15H20ClNO3 — CID 88816910

IUPACbenzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine
SMILESO/N=C1\CCCCCCC1Cl.O=C(O)c1ccccc1
InChIInChI=1S/C8H14ClNO.C7H6O2/c9-7-5-3-1-2-4-6-8(7)10-11;8-7(9)6-4-2-1-3-5-6/h7,11H,1-6H2;1-5H,(H,8,9)/b10-8+;
InChIKeyQCDFEZYAHSIFOL-VRTOBVRTSA-N
MW297.78 g/mol
LogP4.16
Rot. Bonds1

About benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine

benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine (PubChem CID 88816910) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine.

Molecular Properties

Compound Namebenzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine
PubChem CID88816910
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Namebenzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine
SMILESO/N=C1\CCCCCCC1Cl.O=C(O)c1ccccc1
InChIInChI=1S/C8H14ClNO.C7H6O2/c9-7-5-3-1-2-4-6-8(7)10-11;8-7(9)6-4-2-1-3-5-6/h7,11H,1-6H2;1-5H,(H,8,9)/b10-8+;
InChIKeyQCDFEZYAHSIFOL-VRTOBVRTSA-N
XLogP4.16
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 54.16
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'}

Analyze benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine?
The IUPAC name of benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine (CID 88816910) is benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine.
What is the SMILES notation for benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine?
The canonical SMILES for benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine is O/N=C1\CCCCCCC1Cl.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine?
The InChIKey is QCDFEZYAHSIFOL-VRTOBVRTSA-N. The full InChI is InChI=1S/C8H14ClNO.C7H6O2/c9-7-5-3-1-2-4-6-8(7)10-11;8-7(9)6-4-2-1-3-5-6/h7,11H,1-6H2;1-5H,(H,8,9)/b10-8+;.
What are the key properties of benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine?
benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine has a molecular weight of 297.78 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;(NE)-N-(2-chlorocyclooctylidene)hydroxylamine is sourced from PubChem (CID 88816910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).