1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one

C11H21NO — CID 89360655

IUPAC1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one
SMILESCCC(=O)C1C(C)C(C)CN1CC
InChIInChI=1S/C11H21NO/c1-5-10(13)11-9(4)8(3)7-12(11)6-2/h8-9,11H,5-7H2,1-4H3
InChIKeyQKIOSXHEMLQPDT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds3

About 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one

1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one (PubChem CID 89360655) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one
PubChem CID89360655
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one
SMILESCCC(=O)C1C(C)C(C)CN1CC
InChIInChI=1S/C11H21NO/c1-5-10(13)11-9(4)8(3)7-12(11)6-2/h8-9,11H,5-7H2,1-4H3
InChIKeyQKIOSXHEMLQPDT-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one (CID 89360655) is 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one is CCC(=O)C1C(C)C(C)CN1CC.
What is the InChIKey of 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one?
The InChIKey is QKIOSXHEMLQPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-10(13)11-9(4)8(3)7-12(11)6-2/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one?
1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one has a molecular weight of 183.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 89360655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).