(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one

C12H13N3O — CID 102230871

IUPAC(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one
SMILES[N-]=[N+]=NC[C@]1(c2ccccc2)CCCC1=O
InChIInChI=1S/C12H13N3O/c13-15-14-9-12(8-4-7-11(12)16)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2/t12-/m0/s1
InChIKeyKVOBAKYMKAIHHN-LBPRGKRZSA-N
MW215.26 g/mol
LogP2.99
Rot. Bonds3

About (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one

(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one (PubChem CID 102230871) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one
PubChem CID102230871
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one
SMILES[N-]=[N+]=NC[C@]1(c2ccccc2)CCCC1=O
InChIInChI=1S/C12H13N3O/c13-15-14-9-12(8-4-7-11(12)16)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2/t12-/m0/s1
InChIKeyKVOBAKYMKAIHHN-LBPRGKRZSA-N
XLogP2.99
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
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

(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
CID 102230862
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
CID 122215213
diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate
CID 132820039
2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
CID 146161588
(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one
CID 101020127
2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
CID 122215209
(2S)-2-(chloromethyl)-2-(4-fluorophenyl)cyclopentan-1-one
CID 125477245
3-(azidomethyl)-1-benzyl-3-chloropyrrolidin-2-one
CID 132596319
N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide
CID 55128695
ethyl 1-(3-azido-2-phenylselanylpropyl)-2-oxocyclopentane-1-carboxylate
CID 14963536

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one?
The IUPAC name of (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one (CID 102230871) is (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one?
The canonical SMILES for (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one is [N-]=[N+]=NC[C@]1(c2ccccc2)CCCC1=O.
What is the InChIKey of (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one?
The InChIKey is KVOBAKYMKAIHHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13N3O/c13-15-14-9-12(8-4-7-11(12)16)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2/t12-/m0/s1.
What are the key properties of (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one?
(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one has a molecular weight of 215.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one is sourced from PubChem (CID 102230871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).