(NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine

C11H15ClN2O2 — CID 172972696

IUPAC(NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine
SMILESON=C1/C(=N/O)C2CC3CC1CC(Cl)(C3)C2
InChIInChI=1S/C11H15ClN2O2/c12-11-3-6-1-7(4-11)9(13-15)10(14-16)8(2-6)5-11/h6-8,15-16H,1-5H2/b13-9+,14-10?
InChIKeyIENWNQURIWCZPZ-HSPZGYKOSA-N
MW242.71 g/mol
LogP2.46
Rot. Bonds

About (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine

(NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine (PubChem CID 172972696) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine
PubChem CID172972696
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine
SMILESON=C1/C(=N/O)C2CC3CC1CC(Cl)(C3)C2
InChIInChI=1S/C11H15ClN2O2/c12-11-3-6-1-7(4-11)9(13-15)10(14-16)8(2-6)5-11/h6-8,15-16H,1-5H2/b13-9+,14-10?
InChIKeyIENWNQURIWCZPZ-HSPZGYKOSA-N
XLogP2.46
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)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 (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine (CID 172972696) is (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine is ON=C1/C(=N/O)C2CC3CC1CC(Cl)(C3)C2.
What is the InChIKey of (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine?
The InChIKey is IENWNQURIWCZPZ-HSPZGYKOSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-11-3-6-1-7(4-11)9(13-15)10(14-16)8(2-6)5-11/h6-8,15-16H,1-5H2/b13-9+,14-10?.
What are the key properties of (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine?
(NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine has a molecular weight of 242.71 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-chloro-5-hydroxyimino-4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine is sourced from PubChem (CID 172972696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).