ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate

C15H23NO3 — CID 55214318

IUPACethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C15H23NO3/c1-2-19-15(18)13-9-6-10-16(13)14(17)11-12-7-4-3-5-8-12/h7,13H,2-6,8-11H2,1H3
InChIKeyFHLQBYICULXJTR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds4

About ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate

ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 55214318) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID55214318
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C15H23NO3/c1-2-19-15(18)13-9-6-10-16(13)14(17)11-12-7-4-3-5-8-12/h7,13H,2-6,8-11H2,1H3
InChIKeyFHLQBYICULXJTR-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
ethyl 1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-2-carboxylate
CID 79139119
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate
CID 19826983
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 55213742
ethyl (2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 57027545
ethyl 1-(3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 114875756

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 55214318) is ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)CC1=CCCCC1.
What is the InChIKey of ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is FHLQBYICULXJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-15(18)13-9-6-10-16(13)14(17)11-12-7-4-3-5-8-12/h7,13H,2-6,8-11H2,1H3.
What are the key properties of ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cyclohexen-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 55214318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).