1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane

C15H27NO — CID 90139041

IUPAC1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane
SMILESCCC1CCC1C1CCC1CCCCCN=O
InChIInChI=1S/C15H27NO/c1-2-12-7-9-14(12)15-10-8-13(15)6-4-3-5-11-16-17/h12-15H,2-11H2,1H3
InChIKeyDDUKTLMUVJIOPP-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.78
Rot. Bonds8

About 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane

1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane (PubChem CID 90139041) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane.

Molecular Properties

Compound Name1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane
PubChem CID90139041
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane
SMILESCCC1CCC1C1CCC1CCCCCN=O
InChIInChI=1S/C15H27NO/c1-2-12-7-9-14(12)15-10-8-13(15)6-4-3-5-11-16-17/h12-15H,2-11H2,1H3
InChIKeyDDUKTLMUVJIOPP-UHFFFAOYSA-N
XLogP4.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane?
The IUPAC name of 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane (CID 90139041) is 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane.
What is the SMILES notation for 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane?
The canonical SMILES for 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane is CCC1CCC1C1CCC1CCCCCN=O.
What is the InChIKey of 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane?
The InChIKey is DDUKTLMUVJIOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-12-7-9-14(12)15-10-8-13(15)6-4-3-5-11-16-17/h12-15H,2-11H2,1H3.
What are the key properties of 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane?
1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane has a molecular weight of 237.39 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane is sourced from PubChem (CID 90139041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).