(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C8H15N — CID 10877118

IUPAC(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC[C@H]1C[C@H]2CCCN2C1
InChIInChI=1S/C8H15N/c1-7-5-8-3-2-4-9(8)6-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyYAILOYBQBDRPLB-JGVFFNPUSA-N
MW125.22 g/mol
LogP1.49
Rot. Bonds

About (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 10877118) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID10877118
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC[C@H]1C[C@H]2CCCN2C1
InChIInChI=1S/C8H15N/c1-7-5-8-3-2-4-9(8)6-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyYAILOYBQBDRPLB-JGVFFNPUSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 10877118) is (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is C[C@H]1C[C@H]2CCCN2C1.
What is the InChIKey of (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is YAILOYBQBDRPLB-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15N/c1-7-5-8-3-2-4-9(8)6-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 125.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 10877118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).