3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium

C9H15N2+ — CID 58373751

IUPAC3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium
SMILESCC(C)[n+]1c[nH]c2c1CCC2
InChIInChI=1S/C9H14N2/c1-7(2)11-6-10-8-4-3-5-9(8)11/h6-7H,3-5H2,1-2H3/p+1
InChIKeyCHARNMSHZJNEDX-UHFFFAOYSA-O
MW151.23 g/mol
LogP1.37
Rot. Bonds1

About 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium

3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium (PubChem CID 58373751) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium.

Molecular Properties

Compound Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium
PubChem CID58373751
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium
SMILESCC(C)[n+]1c[nH]c2c1CCC2
InChIInChI=1S/C9H14N2/c1-7(2)11-6-10-8-4-3-5-9(8)11/h6-7H,3-5H2,1-2H3/p+1
InChIKeyCHARNMSHZJNEDX-UHFFFAOYSA-O
XLogP1.37
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 37463
CID 37463
CID 12769844
CID 12769844
CID 104662
CID 104662
CID 14712111
CID 14712111
CID 90677623
CID 90677623
CID 158290
CID 158290
CID 207292
CID 207292
CID 12593760
CID 12593760
CID 13807292
CID 13807292
CID 14787206
CID 14787206
CID 20156489
CID 20156489
CID 25116044
CID 25116044

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium?
The IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium (CID 58373751) is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium.
What is the SMILES notation for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium?
The canonical SMILES for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium is CC(C)[n+]1c[nH]c2c1CCC2.
What is the InChIKey of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium?
The InChIKey is CHARNMSHZJNEDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2/c1-7(2)11-6-10-8-4-3-5-9(8)11/h6-7H,3-5H2,1-2H3/p+1.
What are the key properties of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium?
3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium has a molecular weight of 151.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-3-ium is sourced from PubChem (CID 58373751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).