cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol

C15H21N3O — CID 101105415

IUPACcis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol
SMILES[N-]=[N+]=NCCCC[C@@H]1CCC[C@@]1(O)c1ccccc1
InChIInChI=1S/C15H21N3O/c16-18-17-12-5-4-9-14-10-6-11-15(14,19)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2/t14-,15-/m1/s1
InChIKeyISRVAEFVXKGMQI-HUUCEWRRSA-N
MW259.35 g/mol
LogP4.15
Rot. Bonds6

About cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol

cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol (PubChem CID 101105415) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol
PubChem CID101105415
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Namecis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol
SMILES[N-]=[N+]=NCCCC[C@@H]1CCC[C@@]1(O)c1ccccc1
InChIInChI=1S/C15H21N3O/c16-18-17-12-5-4-9-14-10-6-11-15(14,19)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2/t14-,15-/m1/s1
InChIKeyISRVAEFVXKGMQI-HUUCEWRRSA-N
XLogP4.15
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

2-pentadecyl-1-phenylcyclobutan-1-ol
CID 66721936
cis-(1R,2S)-2-amino-1-phenylcyclopentan-1-ol
CID 92978161
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
methyl 2-[(1S,2R)-2-hydroxy-2-phenylcyclohexyl]acetate
CID 100982423
(2S)-2-(methylamino)-1-phenylcyclopentan-1-ol
CID 70572348
N-benzyl-N-tert-butyl-3-[(1R,2S)-2-hydroxy-2-phenylcyclohexyl]propanamide
CID 991906
benzyl-[(1S,2R)-2-hydroxy-2-phenylcyclopentyl]azanium
CID 6946967
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063
3-amino-1-phenylcyclohexan-1-ol
CID 80562038
N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide
CID 55128695
4-azidobutyl(triphenyl)phosphanium iodide
CID 170316714
cis-(1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
CID 14915548

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol (CID 101105415) is cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol is [N-]=[N+]=NCCCC[C@@H]1CCC[C@@]1(O)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol?
The InChIKey is ISRVAEFVXKGMQI-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21N3O/c16-18-17-12-5-4-9-14-10-6-11-15(14,19)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2/t14-,15-/m1/s1.
What are the key properties of cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol?
cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-azidobutyl)-1-phenylcyclopentan-1-ol is sourced from PubChem (CID 101105415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).