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

C12H17NO — CID 82403214

IUPAC2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole
SMILESc1c(C2CCCC2)[nH]c2c1COCC2
InChIInChI=1S/C12H17NO/c1-2-4-9(3-1)12-7-10-8-14-6-5-11(10)13-12/h7,9,13H,1-6,8H2
InChIKeySSMMFRCWTBNPTO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.74
Rot. Bonds1

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

2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole (PubChem CID 82403214) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole
PubChem CID82403214
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole
SMILESc1c(C2CCCC2)[nH]c2c1COCC2
InChIInChI=1S/C12H17NO/c1-2-4-9(3-1)12-7-10-8-14-6-5-11(10)13-12/h7,9,13H,1-6,8H2
InChIKeySSMMFRCWTBNPTO-UHFFFAOYSA-N
XLogP2.74
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole?
The IUPAC name of 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole (CID 82403214) is 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole.
What is the SMILES notation for 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole?
The canonical SMILES for 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole is c1c(C2CCCC2)[nH]c2c1COCC2.
What is the InChIKey of 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole?
The InChIKey is SSMMFRCWTBNPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-9(3-1)12-7-10-8-14-6-5-11(10)13-12/h7,9,13H,1-6,8H2.
What are the key properties of 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole?
2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole has a molecular weight of 191.27 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole is sourced from PubChem (CID 82403214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).