spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde

C11H11NO3 — CID 104826749

IUPACspiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde
SMILESO=Cc1cc2c(cn1)OC1(CCCC1)O2
InChIInChI=1S/C11H11NO3/c13-7-8-5-9-10(6-12-8)15-11(14-9)3-1-2-4-11/h5-7H,1-4H2
InChIKeyXOBAJKBGWIFSPW-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.94
Rot. Bonds1

About spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde

spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde (PubChem CID 104826749) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde.

Molecular Properties

Compound Namespiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde
PubChem CID104826749
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namespiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde
SMILESO=Cc1cc2c(cn1)OC1(CCCC1)O2
InChIInChI=1S/C11H11NO3/c13-7-8-5-9-10(6-12-8)15-11(14-9)3-1-2-4-11/h5-7H,1-4H2
InChIKeyXOBAJKBGWIFSPW-UHFFFAOYSA-N
XLogP1.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde?
The IUPAC name of spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde (CID 104826749) is spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde.
What is the SMILES notation for spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde?
The canonical SMILES for spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde is O=Cc1cc2c(cn1)OC1(CCCC1)O2.
What is the InChIKey of spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde?
The InChIKey is XOBAJKBGWIFSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-7-8-5-9-10(6-12-8)15-11(14-9)3-1-2-4-11/h5-7H,1-4H2.
What are the key properties of spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde?
spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde is sourced from PubChem (CID 104826749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).