2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one

C14H24N2O2 — CID 63171113

IUPAC2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H24N2O2/c17-14-3-1-2-12(14)10-15-5-4-13(11-15)16-6-8-18-9-7-16/h12-13H,1-11H2
InChIKeyNQPYJPICOILOJE-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.76
Rot. Bonds3

About 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one

2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one (PubChem CID 63171113) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one
PubChem CID63171113
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H24N2O2/c17-14-3-1-2-12(14)10-15-5-4-13(11-15)16-6-8-18-9-7-16/h12-13H,1-11H2
InChIKeyNQPYJPICOILOJE-UHFFFAOYSA-N
XLogP0.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one (CID 63171113) is 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one is O=C1CCCC1CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one?
The InChIKey is NQPYJPICOILOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14-3-1-2-12(14)10-15-5-4-13(11-15)16-6-8-18-9-7-16/h12-13H,1-11H2.
What are the key properties of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one?
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one has a molecular weight of 252.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 63171113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).