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

C19H28N2O — CID 70686494

IUPAC[(1S,2R,5S,6S,7S)-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-/m1/s1
InChIKeyYKCXNSAIVWHWKR-IQZDNPOKSA-N
MW300.45 g/mol
LogP2.21
Rot. Bonds4

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

[(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol (PubChem CID 70686494) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
PubChem CID70686494
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[(1S,2R,5S,6S,7S)-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-/m1/s1
InChIKeyYKCXNSAIVWHWKR-IQZDNPOKSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The IUPAC name of [(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol (CID 70686494) is [(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol.
What is the SMILES notation for [(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The canonical SMILES for [(1S,2R,5S,6S,7S)-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 [(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
The InChIKey is YKCXNSAIVWHWKR-IQZDNPOKSA-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-/m1/s1.
What are the key properties of [(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol?
[(1S,2R,5S,6S,7S)-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 [(1S,2R,5S,6S,7S)-3-benzyl-2-methyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol is sourced from PubChem (CID 70686494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).