2-(1-pyrrolidin-1-ylethylamino)acetaldehyde

C8H16N2O — CID 173197031

IUPAC2-(1-pyrrolidin-1-ylethylamino)acetaldehyde
SMILESCC(NCC=O)N1CCCC1
InChIInChI=1S/C8H16N2O/c1-8(9-4-7-11)10-5-2-3-6-10/h7-9H,2-6H2,1H3
InChIKeyVQOSUEFQELTRDO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds4

About 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde

2-(1-pyrrolidin-1-ylethylamino)acetaldehyde (PubChem CID 173197031) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-ylethylamino)acetaldehyde
PubChem CID173197031
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(1-pyrrolidin-1-ylethylamino)acetaldehyde
SMILESCC(NCC=O)N1CCCC1
InChIInChI=1S/C8H16N2O/c1-8(9-4-7-11)10-5-2-3-6-10/h7-9H,2-6H2,1H3
InChIKeyVQOSUEFQELTRDO-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde?
The IUPAC name of 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde (CID 173197031) is 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde.
What is the SMILES notation for 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde?
The canonical SMILES for 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde is CC(NCC=O)N1CCCC1.
What is the InChIKey of 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde?
The InChIKey is VQOSUEFQELTRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(9-4-7-11)10-5-2-3-6-10/h7-9H,2-6H2,1H3.
What are the key properties of 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde?
2-(1-pyrrolidin-1-ylethylamino)acetaldehyde has a molecular weight of 156.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-1-ylethylamino)acetaldehyde is sourced from PubChem (CID 173197031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).