1-cyclodecylpyrrolidin-3-one

C14H25NO — CID 138676614

IUPAC1-cyclodecylpyrrolidin-3-one
SMILESO=C1CCN(C2CCCCCCCCC2)C1
InChIInChI=1S/C14H25NO/c16-14-10-11-15(12-14)13-8-6-4-2-1-3-5-7-9-13/h13H,1-12H2
InChIKeyLPBNHPJOEYPTPR-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.15
Rot. Bonds1

About 1-cyclodecylpyrrolidin-3-one

1-cyclodecylpyrrolidin-3-one (PubChem CID 138676614) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclodecylpyrrolidin-3-one.

Molecular Properties

Compound Name1-cyclodecylpyrrolidin-3-one
PubChem CID138676614
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclodecylpyrrolidin-3-one
SMILESO=C1CCN(C2CCCCCCCCC2)C1
InChIInChI=1S/C14H25NO/c16-14-10-11-15(12-14)13-8-6-4-2-1-3-5-7-9-13/h13H,1-12H2
InChIKeyLPBNHPJOEYPTPR-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclodecylpyrrolidin-3-one?
The IUPAC name of 1-cyclodecylpyrrolidin-3-one (CID 138676614) is 1-cyclodecylpyrrolidin-3-one.
What is the SMILES notation for 1-cyclodecylpyrrolidin-3-one?
The canonical SMILES for 1-cyclodecylpyrrolidin-3-one is O=C1CCN(C2CCCCCCCCC2)C1.
What is the InChIKey of 1-cyclodecylpyrrolidin-3-one?
The InChIKey is LPBNHPJOEYPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14-10-11-15(12-14)13-8-6-4-2-1-3-5-7-9-13/h13H,1-12H2.
What are the key properties of 1-cyclodecylpyrrolidin-3-one?
1-cyclodecylpyrrolidin-3-one has a molecular weight of 223.36 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclodecylpyrrolidin-3-one is sourced from PubChem (CID 138676614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).