1-(dimethylamino)-3-propylpyrrolidin-2-one

C9H18N2O — CID 18515392

IUPAC1-(dimethylamino)-3-propylpyrrolidin-2-one
SMILESCCCC1CCN(N(C)C)C1=O
InChIInChI=1S/C9H18N2O/c1-4-5-8-6-7-11(9(8)12)10(2)3/h8H,4-7H2,1-3H3
InChIKeyONYZILJBLDNZDU-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.11
Rot. Bonds3

About 1-(dimethylamino)-3-propylpyrrolidin-2-one

1-(dimethylamino)-3-propylpyrrolidin-2-one (PubChem CID 18515392) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(dimethylamino)-3-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-propylpyrrolidin-2-one
PubChem CID18515392
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(dimethylamino)-3-propylpyrrolidin-2-one
SMILESCCCC1CCN(N(C)C)C1=O
InChIInChI=1S/C9H18N2O/c1-4-5-8-6-7-11(9(8)12)10(2)3/h8H,4-7H2,1-3H3
InChIKeyONYZILJBLDNZDU-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-propylpyrrolidin-2-one?
The IUPAC name of 1-(dimethylamino)-3-propylpyrrolidin-2-one (CID 18515392) is 1-(dimethylamino)-3-propylpyrrolidin-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-propylpyrrolidin-2-one?
The canonical SMILES for 1-(dimethylamino)-3-propylpyrrolidin-2-one is CCCC1CCN(N(C)C)C1=O.
What is the InChIKey of 1-(dimethylamino)-3-propylpyrrolidin-2-one?
The InChIKey is ONYZILJBLDNZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-8-6-7-11(9(8)12)10(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-propylpyrrolidin-2-one?
1-(dimethylamino)-3-propylpyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-propylpyrrolidin-2-one is sourced from PubChem (CID 18515392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).