2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde

C13H17NO2 — CID 96609069

IUPAC2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde
SMILESO=Cc1c(C2CCCC2)[nH]c2c1COCC2
InChIInChI=1S/C13H17NO2/c15-7-10-11-8-16-6-5-12(11)14-13(10)9-3-1-2-4-9/h7,9,14H,1-6,8H2
InChIKeyOGJVFILFIRMIFK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.56
Rot. Bonds2

About 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde

2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde (PubChem CID 96609069) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde
PubChem CID96609069
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde
SMILESO=Cc1c(C2CCCC2)[nH]c2c1COCC2
InChIInChI=1S/C13H17NO2/c15-7-10-11-8-16-6-5-12(11)14-13(10)9-3-1-2-4-9/h7,9,14H,1-6,8H2
InChIKeyOGJVFILFIRMIFK-UHFFFAOYSA-N
XLogP2.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.56
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-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde?
The IUPAC name of 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde (CID 96609069) is 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde?
The canonical SMILES for 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde is O=Cc1c(C2CCCC2)[nH]c2c1COCC2.
What is the InChIKey of 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde?
The InChIKey is OGJVFILFIRMIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-7-10-11-8-16-6-5-12(11)14-13(10)9-3-1-2-4-9/h7,9,14H,1-6,8H2.
What are the key properties of 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde?
2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde has a molecular weight of 219.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-3-carbaldehyde is sourced from PubChem (CID 96609069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).