(5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol

C13H15NO — CID 10375561

IUPAC(5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol
SMILESO[C@@H]1CN2CC=C(c3ccccc3)[C@H]1C2
InChIInChI=1S/C13H15NO/c15-13-9-14-7-6-11(12(13)8-14)10-4-2-1-3-5-10/h1-6,12-13,15H,7-9H2/t12-,13-/m1/s1
InChIKeyNGKZQGHFTNNVMN-CHWSQXEVSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds1

About (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol

(5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol (PubChem CID 10375561) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol.

Molecular Properties

Compound Name(5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol
PubChem CID10375561
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol
SMILESO[C@@H]1CN2CC=C(c3ccccc3)[C@H]1C2
InChIInChI=1S/C13H15NO/c15-13-9-14-7-6-11(12(13)8-14)10-4-2-1-3-5-10/h1-6,12-13,15H,7-9H2/t12-,13-/m1/s1
InChIKeyNGKZQGHFTNNVMN-CHWSQXEVSA-N
XLogP1.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-phenyl-1-azabicyclo[3.3.1]non-6-en-4-ol
CID 15192581
(6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene
CID 10019504
(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol
CID 3021101
(4-hydroperoxycyclobuten-1-yl)benzene
CID 71399609
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
CID 10535684
(6R)-2,5-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145063916
(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol
CID 130290357
(4-methylcyclobuten-1-yl)benzene
CID 173414108
(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
CID 102399204
(1R,4S)-3,4-diphenylcyclopent-2-en-1-ol
CID 92533373
4-methyl-3-phenylcyclobut-2-en-1-ol
CID 123879826
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol?
The IUPAC name of (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol (CID 10375561) is (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol.
What is the SMILES notation for (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol?
The canonical SMILES for (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol is O[C@@H]1CN2CC=C(c3ccccc3)[C@H]1C2.
What is the InChIKey of (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol?
The InChIKey is NGKZQGHFTNNVMN-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-9-14-7-6-11(12(13)8-14)10-4-2-1-3-5-10/h1-6,12-13,15H,7-9H2/t12-,13-/m1/s1.
What are the key properties of (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol?
(5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol has a molecular weight of 201.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-4-phenyl-1-azabicyclo[3.2.1]oct-3-en-6-ol is sourced from PubChem (CID 10375561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).