1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C8H15N — CID 15559671

IUPAC1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC1CCN2CCCC12
InChIInChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3
InChIKeyBFHBAQJJQJPDGF-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.49
Rot. Bonds

About 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 15559671) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID15559671
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC1CCN2CCCC12
InChIInChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3
InChIKeyBFHBAQJJQJPDGF-UHFFFAOYSA-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 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 15559671) is 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CC1CCN2CCCC12.
What is the InChIKey of 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is BFHBAQJJQJPDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
1-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 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 15559671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).