cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone

C14H17NO5 — CID 89436250

IUPACcyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone
SMILESCOc1cc(C(=O)C2CCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H17NO5/c1-19-12-7-10(14(16)9-5-3-4-6-9)11(15(17)18)8-13(12)20-2/h7-9H,3-6H2,1-2H3
InChIKeyGYELLZFYSNDFIM-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.98
Rot. Bonds5

About cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone

cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone (PubChem CID 89436250) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone.

Molecular Properties

Compound Namecyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone
PubChem CID89436250
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Namecyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone
SMILESCOc1cc(C(=O)C2CCCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H17NO5/c1-19-12-7-10(14(16)9-5-3-4-6-9)11(15(17)18)8-13(12)20-2/h7-9H,3-6H2,1-2H3
InChIKeyGYELLZFYSNDFIM-UHFFFAOYSA-N
XLogP2.98
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
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

4-cyclopentyloxy-5-methoxy-2-nitrobenzoic acid
CID 43311662
2-cyclohexyl-1-(4,5-dimethoxy-2-nitrophenyl)ethanone
CID 12630327
(2-oxocyclohexyl) 4,5-dimethoxy-2-nitrobenzoate
CID 3306778
1-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroethanone
CID 112720386
cyclopentyl-(6-nitro-1,3-benzodioxol-5-yl)methanone
CID 177352316
azepan-1-yl-[1-(4,5-dimethoxy-2-nitrobenzoyl)piperidin-4-yl]methanone
CID 31610743
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36681735
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
[2-(cycloheptylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2570393
N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
CID 51268497
N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 134060927
2-[(4,5-dimethoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 43234989

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The IUPAC name of cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone (CID 89436250) is cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone.
What is the SMILES notation for cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The canonical SMILES for cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone is COc1cc(C(=O)C2CCCC2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The InChIKey is GYELLZFYSNDFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-12-7-10(14(16)9-5-3-4-6-9)11(15(17)18)8-13(12)20-2/h7-9H,3-6H2,1-2H3.
What are the key properties of cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone?
cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone has a molecular weight of 279.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4,5-dimethoxy-2-nitrophenyl)methanone is sourced from PubChem (CID 89436250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).