3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one

C9H18N2O — CID 78920271

IUPAC3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCN(C)CCC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-10(2)8-5-9(12)11-6-3-4-7-11/h3-8H2,1-2H3
InChIKeyORGZAWGAULJLHQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.56
Rot. Bonds3

About 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one

3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 78920271) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID78920271
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCN(C)CCC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-10(2)8-5-9(12)11-6-3-4-7-11/h3-8H2,1-2H3
InChIKeyORGZAWGAULJLHQ-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 78920271) is 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one is CN(C)CCC(=O)N1CCCC1.
What is the InChIKey of 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ORGZAWGAULJLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10(2)8-5-9(12)11-6-3-4-7-11/h3-8H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one?
3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 78920271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).