1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide

C8H15IN2 — CID 118719136

IUPAC1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide
SMILESC[N+]1=C2CCCN2CCC1.[I-]
InChIInChI=1S/C8H15N2.HI/c1-9-5-3-7-10-6-2-4-8(9)10;/h2-7H2,1H3;1H/q+1;/p-1
InChIKeyPSSWYOSOAHMCJL-UHFFFAOYSA-M
MW266.13 g/mol
LogP-2.47
Rot. Bonds

About 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide

1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide (PubChem CID 118719136) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide
PubChem CID118719136
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide
SMILESC[N+]1=C2CCCN2CCC1.[I-]
InChIInChI=1S/C8H15N2.HI/c1-9-5-3-7-10-6-2-4-8(9)10;/h2-7H2,1H3;1H/q+1;/p-1
InChIKeyPSSWYOSOAHMCJL-UHFFFAOYSA-M
XLogP-2.47
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-Diazabicyclo(4.3.0)non-5-ene
CID 76349
Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
5-(Pyrrolidin-1-yl)-3,4-dihydro-2H-pyrrole
CID 330201
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
(1-Methylpyrrolidin-2-ylidene)cyanamide
CID 379672
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium
CID 15935236
6-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808125
7-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808206
Lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide
CID 134940683
1-methyl-2-propyl-5,6-dihydro-4H-pyrimidine
CID 15085001
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium bromide
CID 15935235
1-Ethyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium
CID 15935238

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide?
The IUPAC name of 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide (CID 118719136) is 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide.
What is the SMILES notation for 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide?
The canonical SMILES for 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide is C[N+]1=C2CCCN2CCC1.[I-].
What is the InChIKey of 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide?
The InChIKey is PSSWYOSOAHMCJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2.HI/c1-9-5-3-7-10-6-2-4-8(9)10;/h2-7H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide?
1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide has a molecular weight of 266.13 g/mol, XLogP of -2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide is sourced from PubChem (CID 118719136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).