6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole

C10H19NO — CID 70350782

IUPAC6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
SMILESCC(C)N1CC2CCCOC2C1
InChIInChI=1S/C10H19NO/c1-8(2)11-6-9-4-3-5-12-10(9)7-11/h8-10H,3-7H2,1-2H3
InChIKeyZWDCZEWAIQVFPD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds1

About 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole

6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole (PubChem CID 70350782) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole.

Molecular Properties

Compound Name6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
PubChem CID70350782
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
SMILESCC(C)N1CC2CCCOC2C1
InChIInChI=1S/C10H19NO/c1-8(2)11-6-9-4-3-5-12-10(9)7-11/h8-10H,3-7H2,1-2H3
InChIKeyZWDCZEWAIQVFPD-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The IUPAC name of 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole (CID 70350782) is 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole.
What is the SMILES notation for 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The canonical SMILES for 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole is CC(C)N1CC2CCCOC2C1.
What is the InChIKey of 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The InChIKey is ZWDCZEWAIQVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)11-6-9-4-3-5-12-10(9)7-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole has a molecular weight of 169.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole is sourced from PubChem (CID 70350782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).