7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene

C10H17NO — CID 166028394

IUPAC7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene
SMILESCC(C)(C)N1C=CC2(COC2)C1
InChIInChI=1S/C10H17NO/c1-9(2,3)11-5-4-10(6-11)7-12-8-10/h4-5H,6-8H2,1-3H3
InChIKeyZHEZZJNUBQTRQU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.63
Rot. Bonds

About 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene

7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene (PubChem CID 166028394) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene.

Molecular Properties

Compound Name7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene
PubChem CID166028394
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene
SMILESCC(C)(C)N1C=CC2(COC2)C1
InChIInChI=1S/C10H17NO/c1-9(2,3)11-5-4-10(6-11)7-12-8-10/h4-5H,6-8H2,1-3H3
InChIKeyZHEZZJNUBQTRQU-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3,3-dimethyl-2H-pyrrole
CID 90076789
5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane
CID 171407041
CID 59009704
CID 59009704
2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane
CID 170939545
1-tert-butyl-2H-pyridine
CID 54401784
2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869497
(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol
CID 176847731
3-bromo-3-tert-butyloxetane
CID 116876355
3-methyloxetane-3-carbaldehyde
CID 18962468
1-tert-butyl-4H-pyridine
CID 58984381
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
CID 116872267
2-tert-butyl-4a,8a-dihydro-1H-isoquinoline
CID 21340845

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene?
The IUPAC name of 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene (CID 166028394) is 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene.
What is the SMILES notation for 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene?
The canonical SMILES for 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene is CC(C)(C)N1C=CC2(COC2)C1.
What is the InChIKey of 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene?
The InChIKey is ZHEZZJNUBQTRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2,3)11-5-4-10(6-11)7-12-8-10/h4-5H,6-8H2,1-3H3.
What are the key properties of 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene?
7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene has a molecular weight of 167.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-oxa-7-azaspiro[3.4]oct-5-ene is sourced from PubChem (CID 166028394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).