2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one

C17H30N2O2 — CID 79535813

IUPAC2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCC(C)N1CCOC(CN2CCCC2C2CCCC2=O)C1
InChIInChI=1S/C17H30N2O2/c1-13(2)18-9-10-21-14(11-18)12-19-8-4-6-16(19)15-5-3-7-17(15)20/h13-16H,3-12H2,1-2H3
InChIKeyJSZSSMBJDQPKIX-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79535813) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79535813
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCC(C)N1CCOC(CN2CCCC2C2CCCC2=O)C1
InChIInChI=1S/C17H30N2O2/c1-13(2)18-9-10-21-14(11-18)12-19-8-4-6-16(19)15-5-3-7-17(15)20/h13-16H,3-12H2,1-2H3
InChIKeyJSZSSMBJDQPKIX-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 79535813) is 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is CC(C)N1CCOC(CN2CCCC2C2CCCC2=O)C1.
What is the InChIKey of 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is JSZSSMBJDQPKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)18-9-10-21-14(11-18)12-19-8-4-6-16(19)15-5-3-7-17(15)20/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 294.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79535813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).