tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate

C11H17NO3 — CID 15382803

IUPACtert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=CC(=O)CC1
InChIInChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyQGAMBGGFAOFTCM-MRVPVSSYSA-N
MW211.26 g/mol
LogP1.80
Rot. Bonds1

About tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate

tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate (PubChem CID 15382803) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate
PubChem CID15382803
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=CC(=O)CC1
InChIInChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14)/t8-/m1/s1
InChIKeyQGAMBGGFAOFTCM-MRVPVSSYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]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-[(1S,5E)-5-(2-methylpropylidene)-4-oxocyclopent-2-en-1-yl]carbamate
CID 58602357
tert-butyl N-[(5E)-5-(2-methylpropylidene)-4-oxocyclopent-2-en-1-yl]carbamate
CID 58602358
tert-butyl N-[(1R,5E)-5-(2-methylpropylidene)-4-oxocyclopent-2-en-1-yl]carbamate
CID 58602363
tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate
CID 45092111
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
tert-butyl N-(4-oxocyclopent-2-en-1-yl)carbamate
CID 11579293
tert-butyl N-(3-iodo-4-oxocyclohex-2-en-1-yl)carbamate
CID 11782669
tert-butyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate
CID 165652578
di-tert-butyl ((1S,2R)-3-oxocyclohex-4-ene-1,2-diyl)dicarbamate
CID 11500796
tert-butyl N-[(1S,2S)-2-acetamido-5-oxocyclohex-3-en-1-yl]carbamate
CID 15984288
(S)-Tert-butyl (4-oxocyclopent-2-EN-1-YL)carbamate
CID 11171591
tert-butyl N-[(4E,11E)-3,13-dioxopentadeca-4,11-dien-8-yl]carbamate
CID 42624688

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate (CID 15382803) is tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C=CC(=O)CC1.
What is the InChIKey of tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate?
The InChIKey is QGAMBGGFAOFTCM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate?
tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-4-oxocyclohex-2-en-1-yl]carbamate is sourced from PubChem (CID 15382803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).