3-amino-1-pyrrolidin-1-ylpropan-1-one

C7H14N2O — CID 4961839

IUPAC3-amino-1-pyrrolidin-1-ylpropan-1-one
SMILESNCCC(=O)N1CCCC1
InChIInChI=1S/C7H14N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-6,8H2
InChIKeySIOMCRORFPUYKB-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.04
Rot. Bonds2

About 3-amino-1-pyrrolidin-1-ylpropan-1-one

3-amino-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 4961839) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-amino-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-pyrrolidin-1-ylpropan-1-one
PubChem CID4961839
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-amino-1-pyrrolidin-1-ylpropan-1-one
SMILESNCCC(=O)N1CCCC1
InChIInChI=1S/C7H14N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-6,8H2
InChIKeySIOMCRORFPUYKB-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-amino-1-pyrrolidin-1-ylpropan-1-one (CID 4961839) is 3-amino-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-amino-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-amino-1-pyrrolidin-1-ylpropan-1-one is NCCC(=O)N1CCCC1.
What is the InChIKey of 3-amino-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SIOMCRORFPUYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-6,8H2.
What are the key properties of 3-amino-1-pyrrolidin-1-ylpropan-1-one?
3-amino-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 142.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 4961839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).