cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate

C16H25NO3 — CID 102559217

IUPACcyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OC1CCC1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C16H25NO3/c18-15-10-12(16(19)20-14-8-5-9-14)11-17(15)13-6-3-1-2-4-7-13/h12-14H,1-11H2
InChIKeyRPYQVCVBJIQGOA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.65
Rot. Bonds3

About cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate

cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 102559217) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namecyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
PubChem CID102559217
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namecyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OC1CCC1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C16H25NO3/c18-15-10-12(16(19)20-14-8-5-9-14)11-17(15)13-6-3-1-2-4-7-13/h12-14H,1-11H2
InChIKeyRPYQVCVBJIQGOA-UHFFFAOYSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
[(1S,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
CID 124857188
[(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
CID 124857189
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 6920281
1-cyclopentyl-N-cyclopentyloxy-5-oxopyrrolidine-3-carboxamide
CID 83207333
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 52577395
butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 113221179
1-(3-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690108
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate (CID 102559217) is cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate is O=C(OC1CCC1)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RPYQVCVBJIQGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-15-10-12(16(19)20-14-8-5-9-14)11-17(15)13-6-3-1-2-4-7-13/h12-14H,1-11H2.
What are the key properties of cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate?
cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 102559217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).