(2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde

C8H16N2O — CID 89253760

IUPAC(2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde
SMILESCCN(C)N1CCC[C@H]1C=O
InChIInChI=1S/C8H16N2O/c1-3-9(2)10-6-4-5-8(10)7-11/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyCQHYSCNYWKSJDT-QMMMGPOBSA-N
MW156.23 g/mol
LogP0.52
Rot. Bonds3

About (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde

(2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde (PubChem CID 89253760) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde
PubChem CID89253760
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde
SMILESCCN(C)N1CCC[C@H]1C=O
InChIInChI=1S/C8H16N2O/c1-3-9(2)10-6-4-5-8(10)7-11/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyCQHYSCNYWKSJDT-QMMMGPOBSA-N
XLogP0.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
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 (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde (CID 89253760) is (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde is CCN(C)N1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde?
The InChIKey is CQHYSCNYWKSJDT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-9(2)10-6-4-5-8(10)7-11/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde?
(2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde has a molecular weight of 156.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl(methyl)amino]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 89253760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).