(8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine

C8H12ClN — CID 55301272

IUPAC(8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESClCC1=CCN2CCC[C@@H]12
InChIInChI=1S/C8H12ClN/c9-6-7-3-5-10-4-1-2-8(7)10/h3,8H,1-2,4-6H2/t8-/m0/s1
InChIKeyAKTIRSZGEDHVGL-QMMMGPOBSA-N
MW157.64 g/mol
LogP1.63
Rot. Bonds1

About (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine

(8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine (PubChem CID 55301272) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine
PubChem CID55301272
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESClCC1=CCN2CCC[C@@H]12
InChIInChI=1S/C8H12ClN/c9-6-7-3-5-10-4-1-2-8(7)10/h3,8H,1-2,4-6H2/t8-/m0/s1
InChIKeyAKTIRSZGEDHVGL-QMMMGPOBSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine (CID 55301272) is (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine is ClCC1=CCN2CCC[C@@H]12.
What is the InChIKey of (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The InChIKey is AKTIRSZGEDHVGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12ClN/c9-6-7-3-5-10-4-1-2-8(7)10/h3,8H,1-2,4-6H2/t8-/m0/s1.
What are the key properties of (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine?
(8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine has a molecular weight of 157.64 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 55301272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).