N-cyclopentyloxyimidazole-1-carboxamide

C9H13N3O2 — CID 83198309

IUPACN-cyclopentyloxyimidazole-1-carboxamide
SMILESO=C(NOC1CCCC1)n1ccnc1
InChIInChI=1S/C9H13N3O2/c13-9(12-6-5-10-7-12)11-14-8-3-1-2-4-8/h5-8H,1-4H2,(H,11,13)
InChIKeyHXAQYVOPZCNALS-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.32
Rot. Bonds2

About N-cyclopentyloxyimidazole-1-carboxamide

N-cyclopentyloxyimidazole-1-carboxamide (PubChem CID 83198309) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-cyclopentyloxyimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxyimidazole-1-carboxamide
PubChem CID83198309
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-cyclopentyloxyimidazole-1-carboxamide
SMILESO=C(NOC1CCCC1)n1ccnc1
InChIInChI=1S/C9H13N3O2/c13-9(12-6-5-10-7-12)11-14-8-3-1-2-4-8/h5-8H,1-4H2,(H,11,13)
InChIKeyHXAQYVOPZCNALS-UHFFFAOYSA-N
XLogP1.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxyimidazole-1-carboxamide?
The IUPAC name of N-cyclopentyloxyimidazole-1-carboxamide (CID 83198309) is N-cyclopentyloxyimidazole-1-carboxamide.
What is the SMILES notation for N-cyclopentyloxyimidazole-1-carboxamide?
The canonical SMILES for N-cyclopentyloxyimidazole-1-carboxamide is O=C(NOC1CCCC1)n1ccnc1.
What is the InChIKey of N-cyclopentyloxyimidazole-1-carboxamide?
The InChIKey is HXAQYVOPZCNALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(12-6-5-10-7-12)11-14-8-3-1-2-4-8/h5-8H,1-4H2,(H,11,13).
What are the key properties of N-cyclopentyloxyimidazole-1-carboxamide?
N-cyclopentyloxyimidazole-1-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxyimidazole-1-carboxamide is sourced from PubChem (CID 83198309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).