N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide

C10H14N4O3 — CID 820110

IUPACN-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])c1)NC1CCCC1
InChIInChI=1S/C10H14N4O3/c15-10(12-8-3-1-2-4-8)6-13-5-9(11-7-13)14(16)17/h5,7-8H,1-4,6H2,(H,12,15)
InChIKeyHHUSKCLQTVCPAY-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.85
Rot. Bonds4

About N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide

N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide (PubChem CID 820110) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide
PubChem CID820110
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])c1)NC1CCCC1
InChIInChI=1S/C10H14N4O3/c15-10(12-8-3-1-2-4-8)6-13-5-9(11-7-13)14(16)17/h5,7-8H,1-4,6H2,(H,12,15)
InChIKeyHHUSKCLQTVCPAY-UHFFFAOYSA-N
XLogP0.85
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.85
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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Related Compounds

N-cyclohexyl-5-nitro-1H-imidazole-2-carboxamide
CID 134137625
N-Cyclopentyl-2-(2-methyl-5-nitro-imidazol-1-yl)-acetamide
CID 672156
N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]acetamide
CID 12720381
N-cyclohexyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 935604
N-cycloheptyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 6456882
N-cyclopropyl-5-nitro-1H-imidazole-2-carboxamide
CID 134132276
N-cyclohexyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134135350
(1-Methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone
CID 134138491
N-cyclopropyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134142541
(5-nitro-1H-imidazol-2-yl)-pyrrolidin-1-ylmethanone
CID 134148544
5,6-dimethyl-2-nitroimidazo[1,2-a]pyrazin-8(7H)-one
CID 145998119
7-Cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one
CID 155549113

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide (CID 820110) is N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide is O=C(Cn1cnc([N+](=O)[O-])c1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide?
The InChIKey is HHUSKCLQTVCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-10(12-8-3-1-2-4-8)6-13-5-9(11-7-13)14(16)17/h5,7-8H,1-4,6H2,(H,12,15).
What are the key properties of N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide?
N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide has a molecular weight of 238.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 820110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).