3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one

C12H19N3O — CID 106253585

IUPAC3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCCn1cccc1CNC1CCN(C)C1=O
InChIInChI=1S/C12H19N3O/c1-3-15-7-4-5-10(15)9-13-11-6-8-14(2)12(11)16/h4-5,7,11,13H,3,6,8-9H2,1-2H3
InChIKeyXIQGFORERQGEDG-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.83
Rot. Bonds4

About 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one

3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one (PubChem CID 106253585) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one
PubChem CID106253585
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCCn1cccc1CNC1CCN(C)C1=O
InChIInChI=1S/C12H19N3O/c1-3-15-7-4-5-10(15)9-13-11-6-8-14(2)12(11)16/h4-5,7,11,13H,3,6,8-9H2,1-2H3
InChIKeyXIQGFORERQGEDG-UHFFFAOYSA-N
XLogP0.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one (CID 106253585) is 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one is CCn1cccc1CNC1CCN(C)C1=O.
What is the InChIKey of 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is XIQGFORERQGEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15-7-4-5-10(15)9-13-11-6-8-14(2)12(11)16/h4-5,7,11,13H,3,6,8-9H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one?
3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106253585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).