(3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C8H15NO — CID 126703135

IUPAC(3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCN1CC2COC[C@@]2(C)C1
InChIInChI=1S/C8H15NO/c1-8-5-9(2)3-7(8)4-10-6-8/h7H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyRFTYTBMCLYTXID-BRFYHDHCSA-N
MW141.21 g/mol
LogP0.58
Rot. Bonds

About (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 126703135) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID126703135
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCN1CC2COC[C@@]2(C)C1
InChIInChI=1S/C8H15NO/c1-8-5-9(2)3-7(8)4-10-6-8/h7H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyRFTYTBMCLYTXID-BRFYHDHCSA-N
XLogP0.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 126703135) is (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is CN1CC2COC[C@@]2(C)C1.
What is the InChIKey of (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is RFTYTBMCLYTXID-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H15NO/c1-8-5-9(2)3-7(8)4-10-6-8/h7H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 141.21 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 126703135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).