[(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol

C19H28N2O — CID 70684339

IUPAC[(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
SMILESC[C@H]1[C@H]2[C@@H](CN1Cc1ccccc1)[C@@H](CO)[C@@H]2N1CCCC1
InChIInChI=1S/C19H28N2O/c1-14-18-16(12-21(14)11-15-7-3-2-4-8-15)17(13-22)19(18)20-9-5-6-10-20/h2-4,7-8,14,16-19,22H,5-6,9-13H2,1H3/t14-,16-,17+,18-,19-/m0/s1
InChIKeyYKCXNSAIVWHWKR-UJCHZGTJSA-N
MW300.45 g/mol
LogP2.21
Rot. Bonds4

About [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol

[(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol (PubChem CID 70684339) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
PubChem CID70684339
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
SMILESC[C@H]1[C@H]2[C@@H](CN1Cc1ccccc1)[C@@H](CO)[C@@H]2N1CCCC1
InChIInChI=1S/C19H28N2O/c1-14-18-16(12-21(14)11-15-7-3-2-4-8-15)17(13-22)19(18)20-9-5-6-10-20/h2-4,7-8,14,16-19,22H,5-6,9-13H2,1H3/t14-,16-,17+,18-,19-/m0/s1
InChIKeyYKCXNSAIVWHWKR-UJCHZGTJSA-N
XLogP2.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The IUPAC name of [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol (CID 70684339) is [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol.
What is the SMILES notation for [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The canonical SMILES for [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol is C[C@H]1[C@H]2[C@@H](CN1Cc1ccccc1)[C@@H](CO)[C@@H]2N1CCCC1.
What is the InChIKey of [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The InChIKey is YKCXNSAIVWHWKR-UJCHZGTJSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-18-16(12-21(14)11-15-7-3-2-4-8-15)17(13-22)19(18)20-9-5-6-10-20/h2-4,7-8,14,16-19,22H,5-6,9-13H2,1H3/t14-,16-,17+,18-,19-/m0/s1.
What are the key properties of [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
[(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol has a molecular weight of 300.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R,6R,7R)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol is sourced from PubChem (CID 70684339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).