5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C9H17NO — CID 58348959

IUPAC5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCC(C)N1CC2COCC2C1
InChIInChI=1S/C9H17NO/c1-7(2)10-3-8-5-11-6-9(8)4-10/h7-9H,3-6H2,1-2H3
InChIKeyXPGPBKMYMJCDHG-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.97
Rot. Bonds1

About 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 58348959) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID58348959
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCC(C)N1CC2COCC2C1
InChIInChI=1S/C9H17NO/c1-7(2)10-3-8-5-11-6-9(8)4-10/h7-9H,3-6H2,1-2H3
InChIKeyXPGPBKMYMJCDHG-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 58348959) is 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is CC(C)N1CC2COCC2C1.
What is the InChIKey of 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is XPGPBKMYMJCDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-3-8-5-11-6-9(8)4-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 155.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 58348959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).