tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate

C15H25NO3 — CID 11097519

IUPACtert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CCCC(=O)C1
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-9-5-8-13(16)11-6-4-7-12(17)10-11/h11,13H,4-10H2,1-3H3
InChIKeyCVYKKUXKPHCLBK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.15
Rot. Bonds1

About tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate

tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate (PubChem CID 11097519) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate
PubChem CID11097519
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CCCC(=O)C1
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-9-5-8-13(16)11-6-4-7-12(17)10-11/h11,13H,4-10H2,1-3H3
InChIKeyCVYKKUXKPHCLBK-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 3-oxo-6-azabicyclo(3.2.1)octane-6-carboxylate
CID 15521278
Tert-butyl 2-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CID 132343977
tert-butyl 5-oxo-octahydro-1H-isoindole-2-carboxylate
CID 18670457
Tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
CID 139022722
tert-Butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 16228785
tert-butyl (1R,4R)-5-oxo-2-azabicyclo(2.2.1)heptane-2-carboxylate
CID 28820399
Tert-butyl 4-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CID 57485772
rac-tert-butyl (3aR,7aS)-5-oxo-octahydro-1H-indole-1-carboxylate
CID 71463666
tert-Butyl 8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 71711106
Tert-butyl 6-oxo-decahydroquinoline-1-carboxylate
CID 72407351
Tert-butyl 3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 83911316
Tert-butyl 6-oxo-2-azaspiro(4.5)decane-2-carboxylate
CID 132427824

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate (CID 11097519) is tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C1CCCC(=O)C1.
What is the InChIKey of tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate?
The InChIKey is CVYKKUXKPHCLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-9-5-8-13(16)11-6-4-7-12(17)10-11/h11,13H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-oxocyclohexyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11097519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).