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

C16H28N2O2 — CID 63171156

IUPAC2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one
SMILESO=C1CCCCCC1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H28N2O2/c19-16-5-3-1-2-4-14(16)12-17-7-6-15(13-17)18-8-10-20-11-9-18/h14-15H,1-13H2
InChIKeyZIMBAOJUXLLSEA-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.54
Rot. Bonds3

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

2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one (PubChem CID 63171156) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one
PubChem CID63171156
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one
SMILESO=C1CCCCCC1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H28N2O2/c19-16-5-3-1-2-4-14(16)12-17-7-6-15(13-17)18-8-10-20-11-9-18/h14-15H,1-13H2
InChIKeyZIMBAOJUXLLSEA-UHFFFAOYSA-N
XLogP1.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.54
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]cycloheptan-1-one?
The IUPAC name of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one (CID 63171156) is 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one?
The canonical SMILES for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one is O=C1CCCCCC1CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one?
The InChIKey is ZIMBAOJUXLLSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-16-5-3-1-2-4-14(16)12-17-7-6-15(13-17)18-8-10-20-11-9-18/h14-15H,1-13H2.
What are the key properties of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one?
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one has a molecular weight of 280.41 g/mol, XLogP of 1.54, 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]cycloheptan-1-one is sourced from PubChem (CID 63171156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).