tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate

C13H17NO2 — CID 134368267

IUPACtert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)CC2
InChIInChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-11-7-6-9-4-5-10(9)8-11/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyXPCURRJIVMEOMA-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.13
Rot. Bonds1

About tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate

tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate (PubChem CID 134368267) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
PubChem CID134368267
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)CC2
InChIInChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-11-7-6-9-4-5-10(9)8-11/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyXPCURRJIVMEOMA-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate 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 N-(7-acetyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)carbamate
CID 168876766
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate
CID 83825841
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103867686
tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate
CID 130642262
tert-butyl N-[1,1,1',1'-tetramethyl-5'-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3'-spirobi[2H-indene]-5-yl]carbamate
CID 153378805
CID 164562081
CID 164562081
tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate
CID 153489870
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[1-(oxetan-3-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103744815
tert-butyl N-[2-(aminomethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 170916446

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate?
The IUPAC name of tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate (CID 134368267) is tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate?
The canonical SMILES for tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)CC2.
What is the InChIKey of tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate?
The InChIKey is XPCURRJIVMEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-11-7-6-9-4-5-10(9)8-11/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate?
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate has a molecular weight of 219.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate is sourced from PubChem (CID 134368267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).