2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole

C12H23NO — CID 166818824

IUPAC2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC(C)OCC12CCCC1CN(C)C2
InChIInChI=1S/C12H23NO/c1-10(2)14-9-12-6-4-5-11(12)7-13(3)8-12/h10-11H,4-9H2,1-3H3
InChIKeyFINYSZMGUOPQHK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds3

About 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole

2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 166818824) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID166818824
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC(C)OCC12CCCC1CN(C)C2
InChIInChI=1S/C12H23NO/c1-10(2)14-9-12-6-4-5-11(12)7-13(3)8-12/h10-11H,4-9H2,1-3H3
InChIKeyFINYSZMGUOPQHK-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole (CID 166818824) is 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole is CC(C)OCC12CCCC1CN(C)C2.
What is the InChIKey of 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is FINYSZMGUOPQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)14-9-12-6-4-5-11(12)7-13(3)8-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 197.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3a-(propan-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 166818824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).