2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one

C14H26N2O — CID 55158565

IUPAC2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one
SMILESCCN(CC)C1CCN(CC2CCCC2=O)C1
InChIInChI=1S/C14H26N2O/c1-3-16(4-2)13-8-9-15(11-13)10-12-6-5-7-14(12)17/h12-13H,3-11H2,1-2H3
InChIKeyMIANSVKCUHSBOC-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds5

About 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one

2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one (PubChem CID 55158565) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one
PubChem CID55158565
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one
SMILESCCN(CC)C1CCN(CC2CCCC2=O)C1
InChIInChI=1S/C14H26N2O/c1-3-16(4-2)13-8-9-15(11-13)10-12-6-5-7-14(12)17/h12-13H,3-11H2,1-2H3
InChIKeyMIANSVKCUHSBOC-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one (CID 55158565) is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one is CCN(CC)C1CCN(CC2CCCC2=O)C1.
What is the InChIKey of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The InChIKey is MIANSVKCUHSBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-16(4-2)13-8-9-15(11-13)10-12-6-5-7-14(12)17/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentan-1-one is sourced from PubChem (CID 55158565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).