4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole

C11H21NO — CID 172523996

IUPAC4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
SMILESCC(C)(C)C1OCCC2NCCC21
InChIInChI=1S/C11H21NO/c1-11(2,3)10-8-4-6-12-9(8)5-7-13-10/h8-10,12H,4-7H2,1-3H3
InChIKeyXZZIFUJPIWYBTF-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds

About 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole

4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole (PubChem CID 172523996) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
PubChem CID172523996
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
SMILESCC(C)(C)C1OCCC2NCCC21
InChIInChI=1S/C11H21NO/c1-11(2,3)10-8-4-6-12-9(8)5-7-13-10/h8-10,12H,4-7H2,1-3H3
InChIKeyXZZIFUJPIWYBTF-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-ditert-butyloxolane
CID 58782145
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-4-yl(trimethyl)silane
CID 170905623
2-(2-methyloxolan-3-yl)pyrrolidine
CID 81147050
4-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 176800681
N-[(2-tert-butyloxan-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914546
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79368939
2-tert-butyl-3-methyloxepane
CID 121477234
(2-tert-butyloxan-3-yl)methanol
CID 79373679
2,3-ditert-butyloxan-4-one
CID 164734446
4,6-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
CID 83905168
2-tert-butyloxolane-3-carbohydrazide
CID 122235525
(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 96637802

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The IUPAC name of 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole (CID 172523996) is 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole.
What is the SMILES notation for 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The canonical SMILES for 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole is CC(C)(C)C1OCCC2NCCC21.
What is the InChIKey of 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
The InChIKey is XZZIFUJPIWYBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)10-8-4-6-12-9(8)5-7-13-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole?
4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole has a molecular weight of 183.29 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole is sourced from PubChem (CID 172523996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).