N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide

C9H12N4O3 — CID 20738543

IUPACN-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2ncc([N+](=O)[O-])[nH]2)C1
InChIInChI=1S/C9H12N4O3/c1-5(14)11-7-2-6(3-7)9-10-4-8(12-9)13(15)16/h4,6-7H,2-3H2,1H3,(H,10,12)(H,11,14)
InChIKeyBRQSOJOVLYECNW-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.70
Rot. Bonds3

About N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide

N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide (PubChem CID 20738543) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide
PubChem CID20738543
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2ncc([N+](=O)[O-])[nH]2)C1
InChIInChI=1S/C9H12N4O3/c1-5(14)11-7-2-6(3-7)9-10-4-8(12-9)13(15)16/h4,6-7H,2-3H2,1H3,(H,10,12)(H,11,14)
InChIKeyBRQSOJOVLYECNW-UHFFFAOYSA-N
XLogP0.70
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-propan-2-ylcyclobutyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide?
The IUPAC name of N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide (CID 20738543) is N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide.
What is the SMILES notation for N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide?
The canonical SMILES for N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide is CC(=O)NC1CC(c2ncc([N+](=O)[O-])[nH]2)C1.
What is the InChIKey of N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide?
The InChIKey is BRQSOJOVLYECNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5(14)11-7-2-6(3-7)9-10-4-8(12-9)13(15)16/h4,6-7H,2-3H2,1H3,(H,10,12)(H,11,14).
What are the key properties of N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide?
N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide has a molecular weight of 224.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-nitro-1H-imidazol-2-yl)cyclobutyl]acetamide is sourced from PubChem (CID 20738543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).