6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole

C12H23NO — CID 118901662

IUPAC6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
SMILESCC1COC2CN(C(C)(C)C)CC2C1
InChIInChI=1S/C12H23NO/c1-9-5-10-6-13(12(2,3)4)7-11(10)14-8-9/h9-11H,5-8H2,1-4H3
InChIKeyZYPNPMYUYOXBPC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds

About 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole

6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole (PubChem CID 118901662) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
PubChem CID118901662
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
SMILESCC1COC2CN(C(C)(C)C)CC2C1
InChIInChI=1S/C12H23NO/c1-9-5-10-6-13(12(2,3)4)7-11(10)14-8-9/h9-11H,5-8H2,1-4H3
InChIKeyZYPNPMYUYOXBPC-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The IUPAC name of 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole (CID 118901662) is 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole.
What is the SMILES notation for 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The canonical SMILES for 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole is CC1COC2CN(C(C)(C)C)CC2C1.
What is the InChIKey of 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
The InChIKey is ZYPNPMYUYOXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-5-10-6-13(12(2,3)4)7-11(10)14-8-9/h9-11H,5-8H2,1-4H3.
What are the key properties of 6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole?
6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole has a molecular weight of 197.32 g/mol, XLogP of 2.14, 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-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole is sourced from PubChem (CID 118901662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).