1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one

C11H23N3O — CID 117022577

IUPAC1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(CCN(C)C)C1C
InChIInChI=1S/C11H23N3O/c1-9-10(8-12-2)7-11(15)14(9)6-5-13(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyYWJCXDZFBJJIQV-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.00
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one

1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one (PubChem CID 117022577) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one
PubChem CID117022577
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(CCN(C)C)C1C
InChIInChI=1S/C11H23N3O/c1-9-10(8-12-2)7-11(15)14(9)6-5-13(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyYWJCXDZFBJJIQV-UHFFFAOYSA-N
XLogP0.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one (CID 117022577) is 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one is CNCC1CC(=O)N(CCN(C)C)C1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one?
The InChIKey is YWJCXDZFBJJIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-10(8-12-2)7-11(15)14(9)6-5-13(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one?
1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 117022577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).