5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one

C13H22N2O — CID 107529578

IUPAC5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCC(C2CC2)C2CC2)N1
InChIInChI=1S/C13H22N2O/c16-13-6-5-11(15-13)7-14-8-12(9-1-2-9)10-3-4-10/h9-12,14H,1-8H2,(H,15,16)
InChIKeyAIEPEEUPNQNKLK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.29
Rot. Bonds6

About 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one

5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one (PubChem CID 107529578) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
PubChem CID107529578
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCC(C2CC2)C2CC2)N1
InChIInChI=1S/C13H22N2O/c16-13-6-5-11(15-13)7-14-8-12(9-1-2-9)10-3-4-10/h9-12,14H,1-8H2,(H,15,16)
InChIKeyAIEPEEUPNQNKLK-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one
CID 107530001
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
3,3,3-trifluoro-2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]propanenitrile
CID 103367314
5-[(cyclooctylamino)methyl]pyrrolidin-2-one
CID 60727135
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
5-[[[(E)-4-chlorobut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 81429678
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one (CID 107529578) is 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one is O=C1CCC(CNCC(C2CC2)C2CC2)N1.
What is the InChIKey of 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one?
The InChIKey is AIEPEEUPNQNKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13-6-5-11(15-13)7-14-8-12(9-1-2-9)10-3-4-10/h9-12,14H,1-8H2,(H,15,16).
What are the key properties of 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one?
5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).