cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone

C15H25NO — CID 106655321

IUPACcycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)C2=CCCCCCC2)CCNC1
InChIInChI=1S/C15H25NO/c1-2-15(10-11-16-12-15)14(17)13-8-6-4-3-5-7-9-13/h8,16H,2-7,9-12H2,1H3
InChIKeyLYDDQAIARWTDBR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds3

About cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone

cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 106655321) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID106655321
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Namecycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)C2=CCCCCCC2)CCNC1
InChIInChI=1S/C15H25NO/c1-2-15(10-11-16-12-15)14(17)13-8-6-4-3-5-7-9-13/h8,16H,2-7,9-12H2,1H3
InChIKeyLYDDQAIARWTDBR-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone (CID 106655321) is cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)C2=CCCCCCC2)CCNC1.
What is the InChIKey of cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is LYDDQAIARWTDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-15(10-11-16-12-15)14(17)13-8-6-4-3-5-7-9-13/h8,16H,2-7,9-12H2,1H3.
What are the key properties of cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 235.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106655321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).