3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde

C10H17NO2 — CID 62276359

IUPAC3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCCC2)CCOC1
InChIInChI=1S/C10H17NO2/c12-8-10(3-6-13-9-10)7-11-4-1-2-5-11/h8H,1-7,9H2
InChIKeyHBPMEEPXAXNITR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.69
Rot. Bonds3

About 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde

3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde (PubChem CID 62276359) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde
PubChem CID62276359
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCCC2)CCOC1
InChIInChI=1S/C10H17NO2/c12-8-10(3-6-13-9-10)7-11-4-1-2-5-11/h8H,1-7,9H2
InChIKeyHBPMEEPXAXNITR-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 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 ≤ 50.69
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 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde (CID 62276359) is 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde is O=CC1(CN2CCCC2)CCOC1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde?
The InChIKey is HBPMEEPXAXNITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-8-10(3-6-13-9-10)7-11-4-1-2-5-11/h8H,1-7,9H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde?
3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde has a molecular weight of 183.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 62276359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).