1-methyl-3-propylpyrrolidine-3-carbaldehyde

C9H17NO — CID 154708887

IUPAC1-methyl-3-propylpyrrolidine-3-carbaldehyde
SMILESCCCC1(C=O)CCN(C)C1
InChIInChI=1S/C9H17NO/c1-3-4-9(8-11)5-6-10(2)7-9/h8H,3-7H2,1-2H3
InChIKeyUNDXXBKJQXUVJB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds3

About 1-methyl-3-propylpyrrolidine-3-carbaldehyde

1-methyl-3-propylpyrrolidine-3-carbaldehyde (PubChem CID 154708887) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methyl-3-propylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-propylpyrrolidine-3-carbaldehyde
PubChem CID154708887
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methyl-3-propylpyrrolidine-3-carbaldehyde
SMILESCCCC1(C=O)CCN(C)C1
InChIInChI=1S/C9H17NO/c1-3-4-9(8-11)5-6-10(2)7-9/h8H,3-7H2,1-2H3
InChIKeyUNDXXBKJQXUVJB-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
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 1-methyl-3-propylpyrrolidine-3-carbaldehyde?
The IUPAC name of 1-methyl-3-propylpyrrolidine-3-carbaldehyde (CID 154708887) is 1-methyl-3-propylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-3-propylpyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-methyl-3-propylpyrrolidine-3-carbaldehyde is CCCC1(C=O)CCN(C)C1.
What is the InChIKey of 1-methyl-3-propylpyrrolidine-3-carbaldehyde?
The InChIKey is UNDXXBKJQXUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-9(8-11)5-6-10(2)7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-propylpyrrolidine-3-carbaldehyde?
1-methyl-3-propylpyrrolidine-3-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 154708887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).