6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene

C8H11NO — CID 146426768

IUPAC6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene
SMILESCC(C)(C)N1c2cocc21
InChIInChI=1S/C8H11NO/c1-8(2,3)9-6-4-10-5-7(6)9/h4-5H,1-3H3
InChIKeyDFHXHZFLUKZXOC-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.53
Rot. Bonds

About 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene

6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene (PubChem CID 146426768) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene.

Molecular Properties

Compound Name6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene
PubChem CID146426768
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene
SMILESCC(C)(C)N1c2cocc21
InChIInChI=1S/C8H11NO/c1-8(2,3)9-6-4-10-5-7(6)9/h4-5H,1-3H3
InChIKeyDFHXHZFLUKZXOC-UHFFFAOYSA-N
XLogP2.53
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(Furan-3-yl)morpholine
CID 12009355
N-methyl-N-prop-1-en-2-ylfuran-3-amine
CID 123234345
(3S)-4-(furan-3-yl)-3-methylmorpholine
CID 141415715
6-(1,3-Dichloropropan-2-yl)-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene
CID 167057504
2-(3-Oxa-6-azabicyclo[3.1.0]hexa-1,4-dien-6-yl)propane-1,3-diol
CID 167057508
Diethyl 2-(3-oxa-6-azabicyclo[3.1.0]hexa-1,4-dien-6-yl)propanedioate
CID 167057521
1,4-dimethylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]
CID 170608196
1-(Furan-3-yl)-4-methylpiperazine
CID 173103477
6-Methyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene
CID 173756937
N3,N3,N4,N4-Tetramethylfuran-3,4-diamine
CID 45088392
N-tert-butyl-N-(furan-3-yl)carbamate
CID 66545364
N-tert-Butyl-N-methylfuran-3-amine
CID 165350073

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene?
The IUPAC name of 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene (CID 146426768) is 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene.
What is the SMILES notation for 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene?
The canonical SMILES for 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene is CC(C)(C)N1c2cocc21.
What is the InChIKey of 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene?
The InChIKey is DFHXHZFLUKZXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(2,3)9-6-4-10-5-7(6)9/h4-5H,1-3H3.
What are the key properties of 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene?
6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene has a molecular weight of 137.18 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-oxa-6-azabicyclo[3.1.0]hexa-1,4-diene is sourced from PubChem (CID 146426768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).