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

C15H21NO — CID 175658095

IUPAC(2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine
SMILESC[C@]1(Cc2ccccc2)C[C@@H]2CNCC[C@@H]2O1
InChIInChI=1S/C15H21NO/c1-15(9-12-5-3-2-4-6-12)10-13-11-16-8-7-14(13)17-15/h2-6,13-14,16H,7-11H2,1H3/t13-,14+,15+/m1/s1
InChIKeyWLORGTXXCPENGP-ILXRZTDVSA-N
MW231.34 g/mol
LogP2.39
Rot. Bonds2

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

(2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine (PubChem CID 175658095) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine
PubChem CID175658095
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine
SMILESC[C@]1(Cc2ccccc2)C[C@@H]2CNCC[C@@H]2O1
InChIInChI=1S/C15H21NO/c1-15(9-12-5-3-2-4-6-12)10-13-11-16-8-7-14(13)17-15/h2-6,13-14,16H,7-11H2,1H3/t13-,14+,15+/m1/s1
InChIKeyWLORGTXXCPENGP-ILXRZTDVSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine?
The IUPAC name of (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine (CID 175658095) is (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine.
What is the SMILES notation for (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine?
The canonical SMILES for (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine is C[C@]1(Cc2ccccc2)C[C@@H]2CNCC[C@@H]2O1.
What is the InChIKey of (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine?
The InChIKey is WLORGTXXCPENGP-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(9-12-5-3-2-4-6-12)10-13-11-16-8-7-14(13)17-15/h2-6,13-14,16H,7-11H2,1H3/t13-,14+,15+/m1/s1.
What are the key properties of (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine?
(2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine has a molecular weight of 231.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aS)-2-benzyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-c]pyridine is sourced from PubChem (CID 175658095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).