N-(2-chlorocyclononylidene)hydroxylamine

C9H16ClNO — CID 139910599

IUPACN-(2-chlorocyclononylidene)hydroxylamine
SMILESON=C1CCCCCCCC1Cl
InChIInChI=1S/C9H16ClNO/c10-8-6-4-2-1-3-5-7-9(8)11-12/h8,12H,1-7H2
InChIKeySCZMNYVFKSHPIW-UHFFFAOYSA-N
MW189.69 g/mol
LogP3.17
Rot. Bonds

About N-(2-chlorocyclononylidene)hydroxylamine

N-(2-chlorocyclononylidene)hydroxylamine (PubChem CID 139910599) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(2-chlorocyclononylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-chlorocyclononylidene)hydroxylamine
PubChem CID139910599
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(2-chlorocyclononylidene)hydroxylamine
SMILESON=C1CCCCCCCC1Cl
InChIInChI=1S/C9H16ClNO/c10-8-6-4-2-1-3-5-7-9(8)11-12/h8,12H,1-7H2
InChIKeySCZMNYVFKSHPIW-UHFFFAOYSA-N
XLogP3.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-chlorocyclononylidene)hydroxylamine?
The IUPAC name of N-(2-chlorocyclononylidene)hydroxylamine (CID 139910599) is N-(2-chlorocyclononylidene)hydroxylamine.
What is the SMILES notation for N-(2-chlorocyclononylidene)hydroxylamine?
The canonical SMILES for N-(2-chlorocyclononylidene)hydroxylamine is ON=C1CCCCCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclononylidene)hydroxylamine?
The InChIKey is SCZMNYVFKSHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-8-6-4-2-1-3-5-7-9(8)11-12/h8,12H,1-7H2.
What are the key properties of N-(2-chlorocyclononylidene)hydroxylamine?
N-(2-chlorocyclononylidene)hydroxylamine has a molecular weight of 189.69 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclononylidene)hydroxylamine is sourced from PubChem (CID 139910599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).