2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde

C11H13NOS — CID 82395569

IUPAC2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde
SMILESO=Cc1c(C2CC2)[nH]c2c1CSCC2
InChIInChI=1S/C11H13NOS/c13-5-8-9-6-14-4-3-10(9)12-11(8)7-1-2-7/h5,7,12H,1-4,6H2
InChIKeyDRAGGFZZSIVHMG-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.49
Rot. Bonds2

About 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde

2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde (PubChem CID 82395569) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde
PubChem CID82395569
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde
SMILESO=Cc1c(C2CC2)[nH]c2c1CSCC2
InChIInChI=1S/C11H13NOS/c13-5-8-9-6-14-4-3-10(9)12-11(8)7-1-2-7/h5,7,12H,1-4,6H2
InChIKeyDRAGGFZZSIVHMG-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
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 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde?
The IUPAC name of 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde (CID 82395569) is 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde is O=Cc1c(C2CC2)[nH]c2c1CSCC2.
What is the InChIKey of 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde?
The InChIKey is DRAGGFZZSIVHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c13-5-8-9-6-14-4-3-10(9)12-11(8)7-1-2-7/h5,7,12H,1-4,6H2.
What are the key properties of 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde?
2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde has a molecular weight of 207.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole-3-carbaldehyde is sourced from PubChem (CID 82395569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).