(1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol

C13H13N3O — CID 12014849

IUPAC(1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol
SMILES[N-]=[N+]=N[C@H](C1C=CC=C1)[C@H](O)c1ccccc1
InChIInChI=1S/C13H13N3O/c14-16-15-12(10-6-4-5-7-10)13(17)11-8-2-1-3-9-11/h1-10,12-13,17H/t12-,13-/m1/s1
InChIKeyFYWLYCYUIRWQCY-CHWSQXEVSA-N
MW227.27 g/mol
LogP3.14
Rot. Bonds4

About (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol

(1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol (PubChem CID 12014849) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol.

Molecular Properties

Compound Name(1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol
PubChem CID12014849
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name(1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol
SMILES[N-]=[N+]=N[C@H](C1C=CC=C1)[C@H](O)c1ccccc1
InChIInChI=1S/C13H13N3O/c14-16-15-12(10-6-4-5-7-10)13(17)11-8-2-1-3-9-11/h1-10,12-13,17H/t12-,13-/m1/s1
InChIKeyFYWLYCYUIRWQCY-CHWSQXEVSA-N
XLogP3.14
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.14
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

(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
azido(phenyl)methanol
CID 59611949
5-(diazidomethyl)cyclopenta-1,3-diene
CID 175523156
(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one
CID 10445684
[azido(fluoro)methyl]benzene
CID 123240072
methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
CID 15138856
1,2-diphenylethane-1,2-diol
CID 159073808
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1,4-diazido-4-phenylbut-2-enyl)benzene
CID 139947200
1-azidoethylbenzene;rutherfordium
CID 164682977

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol?
The IUPAC name of (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol (CID 12014849) is (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol.
What is the SMILES notation for (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol?
The canonical SMILES for (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol is [N-]=[N+]=N[C@H](C1C=CC=C1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol?
The InChIKey is FYWLYCYUIRWQCY-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H13N3O/c14-16-15-12(10-6-4-5-7-10)13(17)11-8-2-1-3-9-11/h1-10,12-13,17H/t12-,13-/m1/s1.
What are the key properties of (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol?
(1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol has a molecular weight of 227.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol is sourced from PubChem (CID 12014849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).