1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide

C10H15N5O2 — CID 80593904

IUPAC1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESN/C(=N/O)C1(C(=O)NCc2ncc[nH]2)CCC1
InChIInChI=1S/C10H15N5O2/c11-8(15-17)10(2-1-3-10)9(16)14-6-7-12-4-5-13-7/h4-5,17H,1-3,6H2,(H2,11,15)(H,12,13)(H,14,16)
InChIKeyOODJPJSZPULOQQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.06
Rot. Bonds4

About 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide

1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 80593904) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID80593904
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESN/C(=N/O)C1(C(=O)NCc2ncc[nH]2)CCC1
InChIInChI=1S/C10H15N5O2/c11-8(15-17)10(2-1-3-10)9(16)14-6-7-12-4-5-13-7/h4-5,17H,1-3,6H2,(H2,11,15)(H,12,13)(H,14,16)
InChIKeyOODJPJSZPULOQQ-UHFFFAOYSA-N
XLogP-0.06
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide (CID 80593904) is 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide is N/C(=N/O)C1(C(=O)NCc2ncc[nH]2)CCC1.
What is the InChIKey of 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is OODJPJSZPULOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-8(15-17)10(2-1-3-10)9(16)14-6-7-12-4-5-13-7/h4-5,17H,1-3,6H2,(H2,11,15)(H,12,13)(H,14,16).
What are the key properties of 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide?
1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80593904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).