(2R)-3-propylpyrrolidine-2-carbaldehyde

C8H15NO — CID 57247215

IUPAC(2R)-3-propylpyrrolidine-2-carbaldehyde
SMILESCCCC1CCN[C@H]1C=O
InChIInChI=1S/C8H15NO/c1-2-3-7-4-5-9-8(7)6-10/h6-9H,2-5H2,1H3/t7?,8-/m0/s1
InChIKeyLVCXKZIQFKMPQM-MQWKRIRWSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds3

About (2R)-3-propylpyrrolidine-2-carbaldehyde

(2R)-3-propylpyrrolidine-2-carbaldehyde (PubChem CID 57247215) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2R)-3-propylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-3-propylpyrrolidine-2-carbaldehyde
PubChem CID57247215
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2R)-3-propylpyrrolidine-2-carbaldehyde
SMILESCCCC1CCN[C@H]1C=O
InChIInChI=1S/C8H15NO/c1-2-3-7-4-5-9-8(7)6-10/h6-9H,2-5H2,1H3/t7?,8-/m0/s1
InChIKeyLVCXKZIQFKMPQM-MQWKRIRWSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-propylpyrrolidine-2-carbaldehyde?
The IUPAC name of (2R)-3-propylpyrrolidine-2-carbaldehyde (CID 57247215) is (2R)-3-propylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2R)-3-propylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (2R)-3-propylpyrrolidine-2-carbaldehyde is CCCC1CCN[C@H]1C=O.
What is the InChIKey of (2R)-3-propylpyrrolidine-2-carbaldehyde?
The InChIKey is LVCXKZIQFKMPQM-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-7-4-5-9-8(7)6-10/h6-9H,2-5H2,1H3/t7?,8-/m0/s1.
What are the key properties of (2R)-3-propylpyrrolidine-2-carbaldehyde?
(2R)-3-propylpyrrolidine-2-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-propylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 57247215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).