(3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C8H15NO — CID 130608627

IUPAC(3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCN1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C8H15NO/c1-9-4-2-8-7(6-9)3-5-10-8/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyJCMGRYDIKYOOKZ-JGVFFNPUSA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds

About (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

(3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 130608627) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID130608627
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCN1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C8H15NO/c1-9-4-2-8-7(6-9)3-5-10-8/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyJCMGRYDIKYOOKZ-JGVFFNPUSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 130608627) is (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is CN1CC[C@H]2OCC[C@H]2C1.
What is the InChIKey of (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is JCMGRYDIKYOOKZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-4-2-8-7(6-9)3-5-10-8/h7-8H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
(3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 141.21 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 130608627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).