1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione

C13H22N2O3 — CID 109397805

IUPAC1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione
SMILESCN(CCN1C(=O)CCC1=O)CC1CCCC1O
InChIInChI=1S/C13H22N2O3/c1-14(9-10-3-2-4-11(10)16)7-8-15-12(17)5-6-13(15)18/h10-11,16H,2-9H2,1H3
InChIKeyJKNMOMPMULQPMX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.23
Rot. Bonds5

About 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione

1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione (PubChem CID 109397805) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione
PubChem CID109397805
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione
SMILESCN(CCN1C(=O)CCC1=O)CC1CCCC1O
InChIInChI=1S/C13H22N2O3/c1-14(9-10-3-2-4-11(10)16)7-8-15-12(17)5-6-13(15)18/h10-11,16H,2-9H2,1H3
InChIKeyJKNMOMPMULQPMX-UHFFFAOYSA-N
XLogP0.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentan-1-ol
CID 63211351
1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione
CID 109398346
3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one
CID 109397990
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
CID 109397859
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol
CID 79564028
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-ol
CID 62609026
2-[[2-bromoprop-2-enyl(methyl)amino]methyl]cyclopentan-1-ol
CID 109398174
2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 115883971
3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide
CID 109394098
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione (CID 109397805) is 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione is CN(CCN1C(=O)CCC1=O)CC1CCCC1O.
What is the InChIKey of 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is JKNMOMPMULQPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14(9-10-3-2-4-11(10)16)7-8-15-12(17)5-6-13(15)18/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione?
1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 109397805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).