2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione

C14H16N2O2 — CID 130706522

IUPAC2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
SMILESCC1(CN2C(=O)c3ccccc3C2=O)CCCN1
InChIInChI=1S/C14H16N2O2/c1-14(7-4-8-15-14)9-16-12(17)10-5-2-3-6-11(10)13(16)18/h2-3,5-6,15H,4,7-9H2,1H3
InChIKeyWXCIKLALWRZKEH-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.42
Rot. Bonds2

About 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione

2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 130706522) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
PubChem CID130706522
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
SMILESCC1(CN2C(=O)c3ccccc3C2=O)CCCN1
InChIInChI=1S/C14H16N2O2/c1-14(7-4-8-15-14)9-16-12(17)10-5-2-3-6-11(10)13(16)18/h2-3,5-6,15H,4,7-9H2,1H3
InChIKeyWXCIKLALWRZKEH-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
N-Methylphthalimide
CID 11074
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
(R)-Thalidomide
CID 75792
N,N'-Trimethylenediphthalimide
CID 248109
N-Cyclohexylphthalimide
CID 225739

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione (CID 130706522) is 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione is CC1(CN2C(=O)c3ccccc3C2=O)CCCN1.
What is the InChIKey of 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is WXCIKLALWRZKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(7-4-8-15-14)9-16-12(17)10-5-2-3-6-11(10)13(16)18/h2-3,5-6,15H,4,7-9H2,1H3.
What are the key properties of 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 130706522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).