1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione

C13H20N2O2 — CID 115281563

IUPAC1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2(N(C)C)CCCC2)C1=O
InChIInChI=1S/C13H20N2O2/c1-10-8-11(16)15(12(10)17)9-13(14(2)3)6-4-5-7-13/h8H,4-7,9H2,1-3H3
InChIKeyXBFFIECAYVXADO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.18
Rot. Bonds3

About 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione

1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione (PubChem CID 115281563) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione
PubChem CID115281563
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2(N(C)C)CCCC2)C1=O
InChIInChI=1S/C13H20N2O2/c1-10-8-11(16)15(12(10)17)9-13(14(2)3)6-4-5-7-13/h8H,4-7,9H2,1-3H3
InChIKeyXBFFIECAYVXADO-UHFFFAOYSA-N
XLogP1.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione (CID 115281563) is 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC2(N(C)C)CCCC2)C1=O.
What is the InChIKey of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione?
The InChIKey is XBFFIECAYVXADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-11(16)15(12(10)17)9-13(14(2)3)6-4-5-7-13/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione?
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione has a molecular weight of 236.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 115281563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).