(2S)-1-propylpyrrolidine-2-carbaldehyde

C8H15NO — CID 54314114

IUPAC(2S)-1-propylpyrrolidine-2-carbaldehyde
SMILESCCCN1CCC[C@H]1C=O
InChIInChI=1S/C8H15NO/c1-2-5-9-6-3-4-8(9)7-10/h7-8H,2-6H2,1H3/t8-/m0/s1
InChIKeyCTXUTPBKZYVRML-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.06
Rot. Bonds3

About (2S)-1-propylpyrrolidine-2-carbaldehyde

(2S)-1-propylpyrrolidine-2-carbaldehyde (PubChem CID 54314114) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-1-propylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-propylpyrrolidine-2-carbaldehyde
PubChem CID54314114
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-1-propylpyrrolidine-2-carbaldehyde
SMILESCCCN1CCC[C@H]1C=O
InChIInChI=1S/C8H15NO/c1-2-5-9-6-3-4-8(9)7-10/h7-8H,2-6H2,1H3/t8-/m0/s1
InChIKeyCTXUTPBKZYVRML-QMMMGPOBSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 (2S)-1-propylpyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-propylpyrrolidine-2-carbaldehyde (CID 54314114) is (2S)-1-propylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-propylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-propylpyrrolidine-2-carbaldehyde is CCCN1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-propylpyrrolidine-2-carbaldehyde?
The InChIKey is CTXUTPBKZYVRML-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-5-9-6-3-4-8(9)7-10/h7-8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-propylpyrrolidine-2-carbaldehyde?
(2S)-1-propylpyrrolidine-2-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 54314114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).