N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

C11H16N4O3 — CID 672156

IUPACN-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)NC1CCCC1
InChIInChI=1S/C11H16N4O3/c1-8-12-6-11(15(17)18)14(8)7-10(16)13-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,13,16)
InChIKeyTWHFIQZDJROTNP-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.16
Rot. Bonds4

About N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (PubChem CID 672156) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
PubChem CID672156
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)NC1CCCC1
InChIInChI=1S/C11H16N4O3/c1-8-12-6-11(15(17)18)14(8)7-10(16)13-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,13,16)
InChIKeyTWHFIQZDJROTNP-UHFFFAOYSA-N
XLogP1.16
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (CID 672156) is N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The InChIKey is TWHFIQZDJROTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-12-6-11(15(17)18)14(8)7-10(16)13-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,13,16).
What are the key properties of N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide has a molecular weight of 252.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 672156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).