(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium

C9H12N+ — CID 58995854

IUPAC(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium
SMILESC[C@H]1CC=CC2=[N+]1C=CC2
InChIInChI=1S/C9H12N/c1-8-4-2-5-9-6-3-7-10(8)9/h2-3,5,7-8H,4,6H2,1H3/q+1/t8-/m0/s1
InChIKeyVBPFGBCPENCXQH-QMMMGPOBSA-N
MW134.20 g/mol
LogP1.71
Rot. Bonds

About (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium

(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium (PubChem CID 58995854) has the molecular formula C9H12N+ and a molecular weight of 134.20 g/mol. Its IUPAC name is (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium.

Molecular Properties

Compound Name(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium
PubChem CID58995854
Molecular FormulaC9H12N+
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Name(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium
SMILESC[C@H]1CC=CC2=[N+]1C=CC2
InChIInChI=1S/C9H12N/c1-8-4-2-5-9-6-3-7-10(8)9/h2-3,5,7-8H,4,6H2,1H3/q+1/t8-/m0/s1
InChIKeyVBPFGBCPENCXQH-QMMMGPOBSA-N
XLogP1.71
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Methylidene-1-cyclohexa-2,5-dienylidene-dimethylazanium chloride
CID 132275617
5,6-dihydro-1H-indolizin-4-ium
CID 18684139
5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684141
1-Methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 20657803
(5S)-5-methyl-1,5-dihydropyrrolizin-4-ium
CID 58995829
5-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 59199740
Carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine
CID 59403546
2-[(Z)-but-1-enyl]-3H-pyrrole
CID 59879717
1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole
CID 59893301
2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine
CID 89014932
2-methyl-3-penta-1,3-dienyl-1-pent-1-enyl-2H-azirin-1-ium
CID 123407869
1-Methyl-5,6-dihydropyrrolo[3,2-b]pyridine
CID 139471457

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium?
The IUPAC name of (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium (CID 58995854) is (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium.
What is the SMILES notation for (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium?
The canonical SMILES for (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium is C[C@H]1CC=CC2=[N+]1C=CC2.
What is the InChIKey of (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium?
The InChIKey is VBPFGBCPENCXQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N/c1-8-4-2-5-9-6-3-7-10(8)9/h2-3,5,7-8H,4,6H2,1H3/q+1/t8-/m0/s1.
What are the key properties of (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium?
(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium has a molecular weight of 134.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium is sourced from PubChem (CID 58995854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).