(8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C11H21NO — CID 170362515

IUPAC(8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1(C)CC(C)(C)N2CCOC[C@H]21
InChIInChI=1S/C11H21NO/c1-10(2)8-11(3,4)12-5-6-13-7-9(10)12/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyBLKFQGNQLFLJTP-VIFPVBQESA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds

About (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine

(8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 170362515) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID170362515
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC1(C)CC(C)(C)N2CCOC[C@H]21
InChIInChI=1S/C11H21NO/c1-10(2)8-11(3,4)12-5-6-13-7-9(10)12/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyBLKFQGNQLFLJTP-VIFPVBQESA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 170362515) is (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CC1(C)CC(C)(C)N2CCOC[C@H]21.
What is the InChIKey of (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is BLKFQGNQLFLJTP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)8-11(3,4)12-5-6-13-7-9(10)12/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
(8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-6,6,8,8-tetramethyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 170362515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).