ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate

C14H23NO3 — CID 67936903

IUPACethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CN2CCC(=O)C2)CC1
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)12-5-3-11(4-6-12)9-15-8-7-13(16)10-15/h11-12H,2-10H2,1H3
InChIKeyFVRLKLUHCSETPT-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.63
Rot. Bonds4

About ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate

ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 67936903) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate
PubChem CID67936903
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CN2CCC(=O)C2)CC1
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)12-5-3-11(4-6-12)9-15-8-7-13(16)10-15/h11-12H,2-10H2,1H3
InChIKeyFVRLKLUHCSETPT-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
1-[(3-methylcyclopentyl)methyl]pyrrolidin-3-one
CID 107413455
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
CID 81338184
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
CID 20757661
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate (CID 67936903) is ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CN2CCC(=O)C2)CC1.
What is the InChIKey of ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is FVRLKLUHCSETPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-18-14(17)12-5-3-11(4-6-12)9-15-8-7-13(16)10-15/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate?
ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 67936903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).