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

C15H26N2O2 — CID 63171064

IUPAC2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H26N2O2/c18-15-4-2-1-3-13(15)11-16-6-5-14(12-16)17-7-9-19-10-8-17/h13-14H,1-12H2
InChIKeyUYZTVEASKJUGQV-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.15
Rot. Bonds3

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

2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 63171064) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
PubChem CID63171064
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H26N2O2/c18-15-4-2-1-3-13(15)11-16-6-5-14(12-16)17-7-9-19-10-8-17/h13-14H,1-12H2
InChIKeyUYZTVEASKJUGQV-UHFFFAOYSA-N
XLogP1.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.15
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]cyclohexan-1-one?
The IUPAC name of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one (CID 63171064) is 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one is O=C1CCCCC1CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is UYZTVEASKJUGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15-4-2-1-3-13(15)11-16-6-5-14(12-16)17-7-9-19-10-8-17/h13-14H,1-12H2.
What are the key properties of 2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.15, 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]cyclohexan-1-one is sourced from PubChem (CID 63171064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).