6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium

C10H13N2+ — CID 156663117

IUPAC6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium
SMILESCC(C)C1=[N+]2C=CN=CC2C=C1
InChIInChI=1S/C10H13N2/c1-8(2)10-4-3-9-7-11-5-6-12(9)10/h3-9H,1-2H3/q+1
InChIKeyWKQWTXRCMAZEBA-UHFFFAOYSA-N
MW161.23 g/mol
LogP1.59
Rot. Bonds1

About 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium

6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium (PubChem CID 156663117) has the molecular formula C10H13N2+ and a molecular weight of 161.23 g/mol. Its IUPAC name is 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium.

Molecular Properties

Compound Name6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium
PubChem CID156663117
Molecular FormulaC10H13N2+
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC Name6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium
SMILESCC(C)C1=[N+]2C=CN=CC2C=C1
InChIInChI=1S/C10H13N2/c1-8(2)10-4-3-9-7-11-5-6-12(9)10/h3-9H,1-2H3/q+1
InChIKeyWKQWTXRCMAZEBA-UHFFFAOYSA-N
XLogP1.59
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-5-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 20657803
5-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 59199740
2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
CID 59457874
2-(3H-pyrrol-3-yl)-2H-pyrrole
CID 59806944
2-Methyl-4a,8a-dihydro-1,6-naphthyridine
CID 59984552
4a,8a-Dihydro-1,6-naphthyridine
CID 89668918
1-Methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 91406679
5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine
CID 134271414
3-(2H-pyrrol-2-yl)-3,4-dihydropyridine
CID 143230378
2-propan-2-yl-3aH-isoindol-2-ium
CID 155615523
6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium
CID 156661009
2-ethyl-3aH-pyrrolo[2,3-c]pyridine
CID 156793397

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium?
The IUPAC name of 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium (CID 156663117) is 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium.
What is the SMILES notation for 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium?
The canonical SMILES for 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium is CC(C)C1=[N+]2C=CN=CC2C=C1.
What is the InChIKey of 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium?
The InChIKey is WKQWTXRCMAZEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2/c1-8(2)10-4-3-9-7-11-5-6-12(9)10/h3-9H,1-2H3/q+1.
What are the key properties of 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium?
6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium has a molecular weight of 161.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-8aH-pyrrolo[1,2-a]pyrazin-5-ium is sourced from PubChem (CID 156663117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).