ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate

C15H25NO3 — CID 79546859

IUPACethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C15H25NO3/c1-3-19-15(18)11(2)16-10-6-8-13(16)12-7-4-5-9-14(12)17/h11-13H,3-10H2,1-2H3
InChIKeyRBCRHYAQBLWRIX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.16
Rot. Bonds4

About ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate

ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate (PubChem CID 79546859) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate
PubChem CID79546859
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C15H25NO3/c1-3-19-15(18)11(2)16-10-6-8-13(16)12-7-4-5-9-14(12)17/h11-13H,3-10H2,1-2H3
InChIKeyRBCRHYAQBLWRIX-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[(3aR,8aS)-4-oxo-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]propanoate
CID 82017413
2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid
CID 79553334
N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79546445
ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate
CID 114339457
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79535858
N-butan-2-yl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
CID 79543793
N-ethyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79545380
N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79538902
ethyl 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 82749943
N-butan-2-yl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79537615
2-[1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79535811
2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid
CID 79552951

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate (CID 79546859) is ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate is CCOC(=O)C(C)N1CCCC1C1CCCCC1=O.
What is the InChIKey of ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate?
The InChIKey is RBCRHYAQBLWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-19-15(18)11(2)16-10-6-8-13(16)12-7-4-5-9-14(12)17/h11-13H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate?
ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate has a molecular weight of 267.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 79546859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).