ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate

C10H15NO4 — CID 10889233

IUPACethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1C(C)[N+](=O)[O-]
InChIInChI=1S/C10H15NO4/c1-3-15-10(12)9-6-4-5-8(9)7(2)11(13)14/h6-8H,3-5H2,1-2H3
InChIKeyDJAGDSGMLBYMCY-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.55
Rot. Bonds4

About ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate

ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate (PubChem CID 10889233) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate
PubChem CID10889233
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1C(C)[N+](=O)[O-]
InChIInChI=1S/C10H15NO4/c1-3-15-10(12)9-6-4-5-8(9)7(2)11(13)14/h6-8H,3-5H2,1-2H3
InChIKeyDJAGDSGMLBYMCY-UHFFFAOYSA-N
XLogP1.55
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
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

ethyl (3R,4R)-4-methyl-5-nitro-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 90324167
ethyl (3R,4R,5R)-4-methyl-5-nitro-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 90324197
Ethyl 4-nitrocyclopentene-1-carboxylate
CID 121272493
Methyl 4-nitrocyclopentene-1-carboxylate
CID 121272644
ethyl (3R,4R,5S)-4-methyl-5-nitro-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 153659818
bis(carbon dioxide);ethyl 2-ethyl-3-(nitromethyl)pentanoate;ethyl (Z)-2-ethylpent-2-enoate;nitromethane
CID 161341396
Ethyl 5-(1-nitropropyl)cyclopentene-1-carboxylate
CID 10966226
Ethyl 6-(1-nitroethyl)cyclohexene-1-carboxylate
CID 11053370
Ethyl 6-(1-nitropropyl)cyclohexene-1-carboxylate
CID 11139264
dimethyl (1S,4R)-7-nitrobicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 15140313
ethyl (E)-4-ethyl-2-methylidene-4-nitrooct-5-enoate
CID 101732281
ethyl (4S,5R)-4-[(E)-4-ethoxy-4-oxobut-2-enyl]-5-ethyl-4-nitrocyclopentene-1-carboxylate
CID 102052614

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate?
The IUPAC name of ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate (CID 10889233) is ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate is CCOC(=O)C1=CCCC1C(C)[N+](=O)[O-].
What is the InChIKey of ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate?
The InChIKey is DJAGDSGMLBYMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-15-10(12)9-6-4-5-8(9)7(2)11(13)14/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate?
ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-nitroethyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 10889233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).