3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde

C13H21NO2 — CID 115561832

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde
SMILESO=CC1(CN2CC3CCCC3C2)CCOC1
InChIInChI=1S/C13H21NO2/c15-9-13(4-5-16-10-13)8-14-6-11-2-1-3-12(11)7-14/h9,11-12H,1-8,10H2
InChIKeyYRBAOTIETTWCEP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.32
Rot. Bonds3

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde (PubChem CID 115561832) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde
PubChem CID115561832
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde
SMILESO=CC1(CN2CC3CCCC3C2)CCOC1
InChIInChI=1S/C13H21NO2/c15-9-13(4-5-16-10-13)8-14-6-11-2-1-3-12(11)7-14/h9,11-12H,1-8,10H2
InChIKeyYRBAOTIETTWCEP-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.32
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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde (CID 115561832) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde is O=CC1(CN2CC3CCCC3C2)CCOC1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde?
The InChIKey is YRBAOTIETTWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-9-13(4-5-16-10-13)8-14-6-11-2-1-3-12(11)7-14/h9,11-12H,1-8,10H2.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde has a molecular weight of 223.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 115561832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).