(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde

C10H17NO2 — CID 59911440

IUPAC(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde
SMILESCC[C@@H]1C[C@H](C(C)=O)N(C)[C@H]1C=O
InChIInChI=1S/C10H17NO2/c1-4-8-5-9(7(2)13)11(3)10(8)6-12/h6,8-10H,4-5H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyVXOGUKUOLOLLQZ-BBBLOLIVSA-N
MW183.25 g/mol
LogP0.87
Rot. Bonds3

About (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde

(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde (PubChem CID 59911440) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde
PubChem CID59911440
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde
SMILESCC[C@@H]1C[C@H](C(C)=O)N(C)[C@H]1C=O
InChIInChI=1S/C10H17NO2/c1-4-8-5-9(7(2)13)11(3)10(8)6-12/h6,8-10H,4-5H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyVXOGUKUOLOLLQZ-BBBLOLIVSA-N
XLogP0.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.87
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 (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde?
The IUPAC name of (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde (CID 59911440) is (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde is CC[C@@H]1C[C@H](C(C)=O)N(C)[C@H]1C=O.
What is the InChIKey of (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde?
The InChIKey is VXOGUKUOLOLLQZ-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-8-5-9(7(2)13)11(3)10(8)6-12/h6,8-10H,4-5H2,1-3H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde?
(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde has a molecular weight of 183.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 59911440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).