tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate

C10H15NO2 — CID 10888545

IUPACtert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C=C[C@@H]21
InChIInChI=1S/C10H15NO2/c1-10(2,3)13-9(12)11-6-7-4-5-8(7)11/h4-5,7-8H,6H2,1-3H3/t7-,8-/m0/s1
InChIKeyYKVCYDCPZFUYDY-YUMQZZPRSA-N
MW181.23 g/mol
LogP1.79
Rot. Bonds

About tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate

tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate (PubChem CID 10888545) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
PubChem CID10888545
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nametert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C=C[C@@H]21
InChIInChI=1S/C10H15NO2/c1-10(2,3)13-9(12)11-6-7-4-5-8(7)11/h4-5,7-8H,6H2,1-3H3/t7-,8-/m0/s1
InChIKeyYKVCYDCPZFUYDY-YUMQZZPRSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-ethenylazetidine-1-carboxylate
CID 155007190
Tert-butyl 2-ethenyl-3,3-dimethylazetidine-1-carboxylate
CID 155978268
tert-butyl 3-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]azetidine-1-carboxylate
CID 126824608
tert-butyl (1S,4R)-3-oxo-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 10512045
methyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 11367034
Ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 15349419
Tert-butyl 3-oxo-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 85166909
tert-butyl (1R,4S)-3-oxo-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 130985591
tert-butyl 2-[(E)-3,3,3-trifluoroprop-1-enyl]azetidine-1-carboxylate
CID 101350603
[(1S,4R)-3-oxo-2-azabicyclo[2.2.0]hex-5-en-2-yl]methyl acetate
CID 10397167
(3-Oxo-2-azabicyclo[2.2.0]hex-5-en-2-yl)methyl propanoate
CID 15182088
N-Allyl-N-(cyclohex-3-enyl)-carbamic acid tert-butyl ester
CID 66707728

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The IUPAC name of tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate (CID 10888545) is tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate.
What is the SMILES notation for tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The canonical SMILES for tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@@H]21.
What is the InChIKey of tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The InChIKey is YKVCYDCPZFUYDY-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,3)13-9(12)11-6-7-4-5-8(7)11/h4-5,7-8H,6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate is sourced from PubChem (CID 10888545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).