1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone

C8H14N2O2 — CID 115006793

IUPAC1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone
SMILESCC(=O)N1CCC(C(=O)CN)C1
InChIInChI=1S/C8H14N2O2/c1-6(11)10-3-2-7(5-10)8(12)4-9/h7H,2-5,9H2,1H3
InChIKeyWGHOMHXPCGQBMI-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.62
Rot. Bonds2

About 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone

1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone (PubChem CID 115006793) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone.

Molecular Properties

Compound Name1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone
PubChem CID115006793
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone
SMILESCC(=O)N1CCC(C(=O)CN)C1
InChIInChI=1S/C8H14N2O2/c1-6(11)10-3-2-7(5-10)8(12)4-9/h7H,2-5,9H2,1H3
InChIKeyWGHOMHXPCGQBMI-UHFFFAOYSA-N
XLogP-0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone?
The IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone (CID 115006793) is 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone.
What is the SMILES notation for 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone?
The canonical SMILES for 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone is CC(=O)N1CCC(C(=O)CN)C1.
What is the InChIKey of 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone?
The InChIKey is WGHOMHXPCGQBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(11)10-3-2-7(5-10)8(12)4-9/h7H,2-5,9H2,1H3.
What are the key properties of 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone?
1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone has a molecular weight of 170.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone is sourced from PubChem (CID 115006793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).