2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

C10H15N3O — CID 62068152

IUPAC2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESNC1CCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C10H15N3O/c11-8-3-5-13(6-8)7-10(14)9-2-1-4-12-9/h1-2,4,8,12H,3,5-7,11H2
InChIKeyFTVFHWIGDWOHLD-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.23
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 62068152) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID62068152
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESNC1CCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C10H15N3O/c11-8-3-5-13(6-8)7-10(14)9-2-1-4-12-9/h1-2,4,8,12H,3,5-7,11H2
InChIKeyFTVFHWIGDWOHLD-UHFFFAOYSA-N
XLogP0.23
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 62068152) is 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is NC1CCN(CC(=O)c2ccc[nH]2)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is FTVFHWIGDWOHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-8-3-5-13(6-8)7-10(14)9-2-1-4-12-9/h1-2,4,8,12H,3,5-7,11H2.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 62068152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).