tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate

C18H29NO3 — CID 107092130

IUPACtert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)C2=CCCCCCC2)C1
InChIInChI=1S/C18H29NO3/c1-18(2,3)22-17(21)19-12-11-15(13-19)16(20)14-9-7-5-4-6-8-10-14/h9,15H,4-8,10-13H2,1-3H3
InChIKeyUSDLGUNXZVUEIO-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.09
Rot. Bonds2

About tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 107092130) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID107092130
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Nametert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)C2=CCCCCCC2)C1
InChIInChI=1S/C18H29NO3/c1-18(2,3)22-17(21)19-12-11-15(13-19)16(20)14-9-7-5-4-6-8-10-14/h9,15H,4-8,10-13H2,1-3H3
InChIKeyUSDLGUNXZVUEIO-UHFFFAOYSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate (CID 107092130) is tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)C2=CCCCCCC2)C1.
What is the InChIKey of tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is USDLGUNXZVUEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-18(2,3)22-17(21)19-12-11-15(13-19)16(20)14-9-7-5-4-6-8-10-14/h9,15H,4-8,10-13H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 307.43 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclooctene-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).