4-(2-aminoethyl)-1-methylpyrrolidin-2-one

C7H14N2O — CID 83528817

IUPAC4-(2-aminoethyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(CCN)CC1=O
InChIInChI=1S/C7H14N2O/c1-9-5-6(2-3-8)4-7(9)10/h6H,2-5,8H2,1H3
InChIKeyCYLLUFHNGXNSPW-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.19
Rot. Bonds2

About 4-(2-aminoethyl)-1-methylpyrrolidin-2-one

4-(2-aminoethyl)-1-methylpyrrolidin-2-one (PubChem CID 83528817) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-methylpyrrolidin-2-one
PubChem CID83528817
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-(2-aminoethyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(CCN)CC1=O
InChIInChI=1S/C7H14N2O/c1-9-5-6(2-3-8)4-7(9)10/h6H,2-5,8H2,1H3
InChIKeyCYLLUFHNGXNSPW-UHFFFAOYSA-N
XLogP-0.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(2-aminoethyl)-1-methylpyrrolidin-2-one (CID 83528817) is 4-(2-aminoethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-1-methylpyrrolidin-2-one is CN1CC(CCN)CC1=O.
What is the InChIKey of 4-(2-aminoethyl)-1-methylpyrrolidin-2-one?
The InChIKey is CYLLUFHNGXNSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-5-6(2-3-8)4-7(9)10/h6H,2-5,8H2,1H3.
What are the key properties of 4-(2-aminoethyl)-1-methylpyrrolidin-2-one?
4-(2-aminoethyl)-1-methylpyrrolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 83528817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).