1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid

C7H15N3O4S — CID 70609443

IUPAC1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid
SMILESC/N=C(\N)NC1C=CCC1.O=S(=O)(O)O
InChIInChI=1S/C7H13N3.H2O4S/c1-9-7(8)10-6-4-2-3-5-6;1-5(2,3)4/h2,4,6H,3,5H2,1H3,(H3,8,9,10);(H2,1,2,3,4)
InChIKeyQVCCSOFQQHVNHB-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.41
Rot. Bonds1

About 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid

1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid (PubChem CID 70609443) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid
PubChem CID70609443
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC Name1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid
SMILESC/N=C(\N)NC1C=CCC1.O=S(=O)(O)O
InChIInChI=1S/C7H13N3.H2O4S/c1-9-7(8)10-6-4-2-3-5-6;1-5(2,3)4/h2,4,6H,3,5H2,1H3,(H3,8,9,10);(H2,1,2,3,4)
InChIKeyQVCCSOFQQHVNHB-UHFFFAOYSA-N
XLogP-0.41
TPSA125.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid?
The IUPAC name of 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid (CID 70609443) is 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid?
The canonical SMILES for 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid is C/N=C(\N)NC1C=CCC1.O=S(=O)(O)O.
What is the InChIKey of 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid?
The InChIKey is QVCCSOFQQHVNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.H2O4S/c1-9-7(8)10-6-4-2-3-5-6;1-5(2,3)4/h2,4,6H,3,5H2,1H3,(H3,8,9,10);(H2,1,2,3,4).
What are the key properties of 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid?
1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid has a molecular weight of 237.28 g/mol, XLogP of -0.41, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid is sourced from PubChem (CID 70609443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).