1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

C11H21N — CID 58179511

IUPAC1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCC(C)C1CC2CCN(C)C2C1
InChIInChI=1S/C11H21N/c1-8(2)10-6-9-4-5-12(3)11(9)7-10/h8-11H,4-7H2,1-3H3
InChIKeyNOAWUBQUVOKWHD-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.37
Rot. Bonds1

About 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (PubChem CID 58179511) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
PubChem CID58179511
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCC(C)C1CC2CCN(C)C2C1
InChIInChI=1S/C11H21N/c1-8(2)10-6-9-4-5-12(3)11(9)7-10/h8-11H,4-7H2,1-3H3
InChIKeyNOAWUBQUVOKWHD-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The IUPAC name of 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (CID 58179511) is 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.
What is the SMILES notation for 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The canonical SMILES for 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is CC(C)C1CC2CCN(C)C2C1.
What is the InChIKey of 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The InChIKey is NOAWUBQUVOKWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-6-9-4-5-12(3)11(9)7-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole has a molecular weight of 167.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is sourced from PubChem (CID 58179511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).