1-chloro-1-nitrosocyclopentadecane

C15H28ClNO — CID 71360750

IUPAC1-chloro-1-nitrosocyclopentadecane
SMILESO=NC1(Cl)CCCCCCCCCCCCCC1
InChIInChI=1S/C15H28ClNO/c16-15(17-18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
InChIKeyROPGDZOSDDUYAI-UHFFFAOYSA-N
MW273.85 g/mol
LogP6.16
Rot. Bonds1

About 1-chloro-1-nitrosocyclopentadecane

1-chloro-1-nitrosocyclopentadecane (PubChem CID 71360750) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 1-chloro-1-nitrosocyclopentadecane.

Molecular Properties

Compound Name1-chloro-1-nitrosocyclopentadecane
PubChem CID71360750
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name1-chloro-1-nitrosocyclopentadecane
SMILESO=NC1(Cl)CCCCCCCCCCCCCC1
InChIInChI=1S/C15H28ClNO/c16-15(17-18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
InChIKeyROPGDZOSDDUYAI-UHFFFAOYSA-N
XLogP6.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.85
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-nitrosocyclododecane
CID 12551889
1,1-dichlorocyclooctane
CID 13066177
cyclododecane;nitrosyl chloride
CID 174850346
1,1-dichlorocyclohexane;dihydrochloride
CID 175162377
1-chloro-1-methylcyclotridecane
CID 71082065
2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane
CID 13412659
1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane
CID 71370874
cyclononane-1,1-diol
CID 23151649
1,1-dichlorocyclopentane;dihydrochloride
CID 146484844
cyclopentadecane-1,1-diol
CID 90867480
1-nitrosocyclobutane-1-carboxamide
CID 87070126
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-nitrosocyclopentadecane?
The IUPAC name of 1-chloro-1-nitrosocyclopentadecane (CID 71360750) is 1-chloro-1-nitrosocyclopentadecane.
What is the SMILES notation for 1-chloro-1-nitrosocyclopentadecane?
The canonical SMILES for 1-chloro-1-nitrosocyclopentadecane is O=NC1(Cl)CCCCCCCCCCCCCC1.
What is the InChIKey of 1-chloro-1-nitrosocyclopentadecane?
The InChIKey is ROPGDZOSDDUYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c16-15(17-18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2.
What are the key properties of 1-chloro-1-nitrosocyclopentadecane?
1-chloro-1-nitrosocyclopentadecane has a molecular weight of 273.85 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-nitrosocyclopentadecane is sourced from PubChem (CID 71360750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).