1-(3-aminopyrrolidin-1-yl)ethanone

C6H12N2O — CID 11217265

IUPAC1-(3-aminopyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCC(N)C1
InChIInChI=1S/C6H12N2O/c1-5(9)8-3-2-6(7)4-8/h6H,2-4,7H2,1H3
InChIKeyQTFVAHXVSVHNQR-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.43
Rot. Bonds

About 1-(3-aminopyrrolidin-1-yl)ethanone

1-(3-aminopyrrolidin-1-yl)ethanone (PubChem CID 11217265) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)ethanone
PubChem CID11217265
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-(3-aminopyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCC(N)C1
InChIInChI=1S/C6H12N2O/c1-5(9)8-3-2-6(7)4-8/h6H,2-4,7H2,1H3
InChIKeyQTFVAHXVSVHNQR-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)ethanone (CID 11217265) is 1-(3-aminopyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)ethanone is CC(=O)N1CCC(N)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)ethanone?
The InChIKey is QTFVAHXVSVHNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(9)8-3-2-6(7)4-8/h6H,2-4,7H2,1H3.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)ethanone?
1-(3-aminopyrrolidin-1-yl)ethanone has a molecular weight of 128.17 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)ethanone is sourced from PubChem (CID 11217265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).