1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane

C11H12Cl2NO2+ — CID 169170437

IUPAC1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane
SMILESClc1ccc(C2CCCO2)cc1.O[N+]#CCl
InChIInChI=1S/C10H11ClO.CClNO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;2-1-3-4/h3-6,10H,1-2,7H2;/p+1
InChIKeyZIKYWLAGDOHSKY-UHFFFAOYSA-O
MW261.13 g/mol
LogP4.10
Rot. Bonds1

About 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane

1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane (PubChem CID 169170437) has the molecular formula C11H12Cl2NO2+ and a molecular weight of 261.13 g/mol. Its IUPAC name is 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane.

Molecular Properties

Compound Name1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane
PubChem CID169170437
Molecular FormulaC11H12Cl2NO2+
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane
SMILESClc1ccc(C2CCCO2)cc1.O[N+]#CCl
InChIInChI=1S/C10H11ClO.CClNO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;2-1-3-4/h3-6,10H,1-2,7H2;/p+1
InChIKeyZIKYWLAGDOHSKY-UHFFFAOYSA-O
XLogP4.10
TPSA33.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
2-(4-chlorophenyl)oxolane;formaldehyde
CID 169170436
2-[4-(trifluoromethyl)phenyl]oxolane
CID 72665644
2-(4-ethynylphenyl)oxane
CID 139689024
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
2-(4-prop-1-en-2-ylphenyl)oxane
CID 151047366
2-fluoro-5-(oxolan-2-yl)pyridine
CID 138978454
[(2S,4R)-2-(4-chlorophenyl)oxan-4-yl] acetate
CID 16735602
3-[4-(oxolan-2-yl)phenyl]propanal
CID 117292661
2-(4-ethenylphenyl)oxane
CID 67163438
(2R)-2-(4-chlorophenyl)oxan-4-one
CID 131855614

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane?
The IUPAC name of 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane (CID 169170437) is 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane.
What is the SMILES notation for 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane?
The canonical SMILES for 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane is Clc1ccc(C2CCCO2)cc1.O[N+]#CCl.
What is the InChIKey of 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane?
The InChIKey is ZIKYWLAGDOHSKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11ClO.CClNO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;2-1-3-4/h3-6,10H,1-2,7H2;/p+1.
What are the key properties of 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane?
1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane has a molecular weight of 261.13 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-hydroxyformonitrilium;2-(4-chlorophenyl)oxolane is sourced from PubChem (CID 169170437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).