tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate

C19H26N2O3 — CID 142054640

IUPACtert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate
SMILESCC1C=CC2=C(C=C1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2
InChIInChI=1S/C19H26N2O3/c1-13-5-7-14-15(8-6-13)20-16(22)19(14)9-11-21(12-10-19)17(23)24-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,20,22)
InChIKeyVCJICUADCWFUPC-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.15
Rot. Bonds

About tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate

tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate (PubChem CID 142054640) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate
PubChem CID142054640
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate
SMILESCC1C=CC2=C(C=C1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2
InChIInChI=1S/C19H26N2O3/c1-13-5-7-14-15(8-6-13)20-16(22)19(14)9-11-21(12-10-19)17(23)24-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,20,22)
InChIKeyVCJICUADCWFUPC-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate with MolForge

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Related Compounds

tert-butyl 2-methyl-3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597122
tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
CID 176829524
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
4-(2,5-dioxopyrrol-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 134249561
tert-butyl 3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597040
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 1-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 10735690
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate (CID 142054640) is tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate is CC1C=CC2=C(C=C1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2.
What is the InChIKey of tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is VCJICUADCWFUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-5-7-14-15(8-6-13)20-16(22)19(14)9-11-21(12-10-19)17(23)24-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 142054640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).