1-methyl-5,6,7,8-tetrahydroindolizine

C9H13N — CID 71512350

IUPAC1-methyl-5,6,7,8-tetrahydroindolizine
SMILESCc1ccn2c1CCCC2
InChIInChI=1S/C9H13N/c1-8-5-7-10-6-3-2-4-9(8)10/h5,7H,2-4,6H2,1H3
InChIKeyFFLYHPOSFBOFTC-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.13
Rot. Bonds

About 1-methyl-5,6,7,8-tetrahydroindolizine

1-methyl-5,6,7,8-tetrahydroindolizine (PubChem CID 71512350) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-methyl-5,6,7,8-tetrahydroindolizine.

Molecular Properties

Compound Name1-methyl-5,6,7,8-tetrahydroindolizine
PubChem CID71512350
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-methyl-5,6,7,8-tetrahydroindolizine
SMILESCc1ccn2c1CCCC2
InChIInChI=1S/C9H13N/c1-8-5-7-10-6-3-2-4-9(8)10/h5,7H,2-4,6H2,1H3
InChIKeyFFLYHPOSFBOFTC-UHFFFAOYSA-N
XLogP2.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8-tetrahydroindolizine?
The IUPAC name of 1-methyl-5,6,7,8-tetrahydroindolizine (CID 71512350) is 1-methyl-5,6,7,8-tetrahydroindolizine.
What is the SMILES notation for 1-methyl-5,6,7,8-tetrahydroindolizine?
The canonical SMILES for 1-methyl-5,6,7,8-tetrahydroindolizine is Cc1ccn2c1CCCC2.
What is the InChIKey of 1-methyl-5,6,7,8-tetrahydroindolizine?
The InChIKey is FFLYHPOSFBOFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-5-7-10-6-3-2-4-9(8)10/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-methyl-5,6,7,8-tetrahydroindolizine?
1-methyl-5,6,7,8-tetrahydroindolizine has a molecular weight of 135.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8-tetrahydroindolizine is sourced from PubChem (CID 71512350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).