2-nitrosoethylcyclotridecane

C15H29NO — CID 138619052

IUPAC2-nitrosoethylcyclotridecane
SMILESO=NCCC1CCCCCCCCCCCC1
InChIInChI=1S/C15H29NO/c17-16-14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-15/h15H,1-14H2
InChIKeyOCNJNFAQDTZONN-UHFFFAOYSA-N
MW239.40 g/mol
LogP5.45
Rot. Bonds3

About 2-nitrosoethylcyclotridecane

2-nitrosoethylcyclotridecane (PubChem CID 138619052) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-nitrosoethylcyclotridecane.

Molecular Properties

Compound Name2-nitrosoethylcyclotridecane
PubChem CID138619052
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-nitrosoethylcyclotridecane
SMILESO=NCCC1CCCCCCCCCCCC1
InChIInChI=1S/C15H29NO/c17-16-14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-15/h15H,1-14H2
InChIKeyOCNJNFAQDTZONN-UHFFFAOYSA-N
XLogP5.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-nitrosoethylcyclotridecane?
The IUPAC name of 2-nitrosoethylcyclotridecane (CID 138619052) is 2-nitrosoethylcyclotridecane.
What is the SMILES notation for 2-nitrosoethylcyclotridecane?
The canonical SMILES for 2-nitrosoethylcyclotridecane is O=NCCC1CCCCCCCCCCCC1.
What is the InChIKey of 2-nitrosoethylcyclotridecane?
The InChIKey is OCNJNFAQDTZONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c17-16-14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-15/h15H,1-14H2.
What are the key properties of 2-nitrosoethylcyclotridecane?
2-nitrosoethylcyclotridecane has a molecular weight of 239.40 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosoethylcyclotridecane is sourced from PubChem (CID 138619052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).