1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

C13H23N3O3 — CID 66053218

IUPAC1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCN(C)CC1CC(O)CN1CCN1C(=O)CCC1=O
InChIInChI=1S/C13H23N3O3/c1-14(2)8-10-7-11(17)9-15(10)5-6-16-12(18)3-4-13(16)19/h10-11,17H,3-9H2,1-2H3
InChIKeyRUKXPRVOXKBGCL-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.87
Rot. Bonds5

About 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 66053218) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID66053218
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCN(C)CC1CC(O)CN1CCN1C(=O)CCC1=O
InChIInChI=1S/C13H23N3O3/c1-14(2)8-10-7-11(17)9-15(10)5-6-16-12(18)3-4-13(16)19/h10-11,17H,3-9H2,1-2H3
InChIKeyRUKXPRVOXKBGCL-UHFFFAOYSA-N
XLogP-0.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892577
1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056646
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one
CID 106801504
5-[(dimethylamino)methyl]-1-pent-4-enylpyrrolidin-3-ol
CID 66051859
5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 66053792
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanethioamide
CID 66055213
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanehydrazide
CID 66051201
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 66052776
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054174
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 66053218) is 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is CN(C)CC1CC(O)CN1CCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is RUKXPRVOXKBGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14(2)8-10-7-11(17)9-15(10)5-6-16-12(18)3-4-13(16)19/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 269.34 g/mol, XLogP of -0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 66053218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).