3-(1-methylpyrrolidin-3-yl)propanal

C8H15NO — CID 83904919

IUPAC3-(1-methylpyrrolidin-3-yl)propanal
SMILESCN1CCC(CCC=O)C1
InChIInChI=1S/C8H15NO/c1-9-5-4-8(7-9)3-2-6-10/h6,8H,2-5,7H2,1H3
InChIKeyUTJSVDVQSMDHMN-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds3

About 3-(1-methylpyrrolidin-3-yl)propanal

3-(1-methylpyrrolidin-3-yl)propanal (PubChem CID 83904919) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)propanal.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)propanal
PubChem CID83904919
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(1-methylpyrrolidin-3-yl)propanal
SMILESCN1CCC(CCC=O)C1
InChIInChI=1S/C8H15NO/c1-9-5-4-8(7-9)3-2-6-10/h6,8H,2-5,7H2,1H3
InChIKeyUTJSVDVQSMDHMN-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
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 3-(1-methylpyrrolidin-3-yl)propanal?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)propanal (CID 83904919) is 3-(1-methylpyrrolidin-3-yl)propanal.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)propanal?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)propanal is CN1CCC(CCC=O)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)propanal?
The InChIKey is UTJSVDVQSMDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-4-8(7-9)3-2-6-10/h6,8H,2-5,7H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)propanal?
3-(1-methylpyrrolidin-3-yl)propanal has a molecular weight of 141.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)propanal is sourced from PubChem (CID 83904919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).