(1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine

C8H13N — CID 23270853

IUPAC(1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESC[C@@H]1CCN2CC=C[C@H]12
InChIInChI=1S/C8H13N/c1-7-4-6-9-5-2-3-8(7)9/h2-3,7-8H,4-6H2,1H3/t7-,8-/m1/s1
InChIKeyCSKRFYUNLAVIQP-HTQZYQBOSA-N
MW123.20 g/mol
LogP1.27
Rot. Bonds

About (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine

(1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine (PubChem CID 23270853) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine
PubChem CID23270853
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESC[C@@H]1CCN2CC=C[C@H]12
InChIInChI=1S/C8H13N/c1-7-4-6-9-5-2-3-8(7)9/h2-3,7-8H,4-6H2,1H3/t7-,8-/m1/s1
InChIKeyCSKRFYUNLAVIQP-HTQZYQBOSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine?
The IUPAC name of (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine (CID 23270853) is (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine is C[C@@H]1CCN2CC=C[C@H]12.
What is the InChIKey of (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine?
The InChIKey is CSKRFYUNLAVIQP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-6-9-5-2-3-8(7)9/h2-3,7-8H,4-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine?
(1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine has a molecular weight of 123.20 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 23270853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).