2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone

C8H16N2O — CID 130932525

IUPAC2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN)C1C
InChIInChI=1S/C8H16N2O/c1-6-3-4-10(7(6)2)8(11)5-9/h6-7H,3-5,9H2,1-2H3
InChIKeySQGJNMNPLJUWFU-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.20
Rot. Bonds1

About 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone

2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 130932525) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
PubChem CID130932525
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN)C1C
InChIInChI=1S/C8H16N2O/c1-6-3-4-10(7(6)2)8(11)5-9/h6-7H,3-5,9H2,1-2H3
InChIKeySQGJNMNPLJUWFU-UHFFFAOYSA-N
XLogP0.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone (CID 130932525) is 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone is CC1CCN(C(=O)CN)C1C.
What is the InChIKey of 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is SQGJNMNPLJUWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-3-4-10(7(6)2)8(11)5-9/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone?
2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 156.23 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 130932525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).