5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one

C13H20N2O — CID 104687921

IUPAC5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1(Cc2cccn2C)CCC(=O)N1
InChIInChI=1S/C13H20N2O/c1-10(2)13(7-6-12(16)14-13)9-11-5-4-8-15(11)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyCXSUEKULMUQOOP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.87
Rot. Bonds3

About 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one

5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one (PubChem CID 104687921) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one
PubChem CID104687921
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1(Cc2cccn2C)CCC(=O)N1
InChIInChI=1S/C13H20N2O/c1-10(2)13(7-6-12(16)14-13)9-11-5-4-8-15(11)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyCXSUEKULMUQOOP-UHFFFAOYSA-N
XLogP1.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one (CID 104687921) is 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one is CC(C)C1(Cc2cccn2C)CCC(=O)N1.
What is the InChIKey of 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is CXSUEKULMUQOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)13(7-6-12(16)14-13)9-11-5-4-8-15(11)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16).
What are the key properties of 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one?
5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrol-2-yl)methyl]-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104687921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).