(1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol

C11H11N3O — CID 135075271

IUPAC(1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol
SMILES[N-]=[N+]=N[C@@H]1CC=C(c2ccccc2)[C@H]1O
InChIInChI=1S/C11H11N3O/c12-14-13-10-7-6-9(11(10)15)8-4-2-1-3-5-8/h1-6,10-11,15H,7H2/t10-,11-/m1/s1
InChIKeyFKGUOZSZKDHYDI-GHMZBOCLSA-N
MW201.23 g/mol
LogP2.51
Rot. Bonds2

About (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol

(1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol (PubChem CID 135075271) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol
PubChem CID135075271
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol
SMILES[N-]=[N+]=N[C@@H]1CC=C(c2ccccc2)[C@H]1O
InChIInChI=1S/C11H11N3O/c12-14-13-10-7-6-9(11(10)15)8-4-2-1-3-5-8/h1-6,10-11,15H,7H2/t10-,11-/m1/s1
InChIKeyFKGUOZSZKDHYDI-GHMZBOCLSA-N
XLogP2.51
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 102523602
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CID 102523610
(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15637840
4-azido-1-benzylpyrrolidin-3-ol
CID 14612532
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
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(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol
CID 130290357
4-azido-1-benzylpiperidin-3-ol
CID 76766265
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
[(1S,2S)-2-azido-3-phenylcyclohex-3-en-1-yl] acetate
CID 139242894
(4-methylcyclobuten-1-yl)benzene
CID 173414108
(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
CID 102399204
(4-hydroperoxycyclobuten-1-yl)benzene
CID 71399609

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol?
The IUPAC name of (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol (CID 135075271) is (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol is [N-]=[N+]=N[C@@H]1CC=C(c2ccccc2)[C@H]1O.
What is the InChIKey of (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol?
The InChIKey is FKGUOZSZKDHYDI-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H11N3O/c12-14-13-10-7-6-9(11(10)15)8-4-2-1-3-5-8/h1-6,10-11,15H,7H2/t10-,11-/m1/s1.
What are the key properties of (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol?
(1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol has a molecular weight of 201.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-azido-2-phenylcyclopent-2-en-1-ol is sourced from PubChem (CID 135075271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).