[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C16H21NO — CID 154779546

IUPAC[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCC(=Cc1ccccc1)CN1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C16H21NO/c1-12(7-13-5-3-2-4-6-13)8-17-9-14-15(10-17)16(14)11-18/h2-7,14-16,18H,8-11H2,1H3/t14-,15+,16?
InChIKeyVGPRVUFZTAVCSP-XYPWUTKMSA-N
MW243.35 g/mol
LogP2.26
Rot. Bonds4

About [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 154779546) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID154779546
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCC(=Cc1ccccc1)CN1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C16H21NO/c1-12(7-13-5-3-2-4-6-13)8-17-9-14-15(10-17)16(14)11-18/h2-7,14-16,18H,8-11H2,1H3/t14-,15+,16?
InChIKeyVGPRVUFZTAVCSP-XYPWUTKMSA-N
XLogP2.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-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 [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 154779546) is [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CC(=Cc1ccccc1)CN1C[C@@H]2C(CO)[C@@H]2C1.
What is the InChIKey of [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is VGPRVUFZTAVCSP-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(7-13-5-3-2-4-6-13)8-17-9-14-15(10-17)16(14)11-18/h2-7,14-16,18H,8-11H2,1H3/t14-,15+,16?.
What are the key properties of [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-(2-methyl-3-phenylprop-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 154779546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).