tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate

C15H23NO2 — CID 73040298

IUPACtert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
SMILESCC1=CC2CC=CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-11-9-12-7-5-6-8-13(10-11)16(12)14(17)18-15(2,3)4/h5-6,9,12-13H,7-8,10H2,1-4H3
InChIKeyIDBQLHHFBJGUMX-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.66
Rot. Bonds

About tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate

tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate (PubChem CID 73040298) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
PubChem CID73040298
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
SMILESCC1=CC2CC=CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-11-9-12-7-5-6-8-13(10-11)16(12)14(17)18-15(2,3)4/h5-6,9,12-13H,7-8,10H2,1-4H3
InChIKeyIDBQLHHFBJGUMX-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate with MolForge

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Related Compounds

tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 22961112
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
Tert-butyl 10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 72990834
N-t-butoxycarbonyl-8-bromo-10-azabicyclo[4.3.1]deca-3,7-diene
CID 73050129
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
4-vinyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 69069403
t-Butyl 4-allyl-3,6-dihydropyridine-1(2h)-carboxylate
CID 129754607
tert-butyl N-(2,5-difluorocyclohex-3-en-1-yl)-N-methylcarbamate
CID 66890851
tert-butyl (2S)-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
CID 15201200

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate?
The IUPAC name of tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate (CID 73040298) is tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate.
What is the SMILES notation for tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate?
The canonical SMILES for tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate is CC1=CC2CC=CCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate?
The InChIKey is IDBQLHHFBJGUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-12-7-5-6-8-13(10-11)16(12)14(17)18-15(2,3)4/h5-6,9,12-13H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate?
tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate has a molecular weight of 249.35 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate is sourced from PubChem (CID 73040298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).