[(1R,2R)-2-azidocyclohexyl] carbonochloridate

C7H10ClN3O2 — CID 91623762

IUPAC[(1R,2R)-2-azidocyclohexyl] carbonochloridate
SMILES[N-]=[N+]=N[C@@H]1CCCC[C@H]1OC(=O)Cl
InChIInChI=1S/C7H10ClN3O2/c8-7(12)13-6-4-2-1-3-5(6)10-11-9/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyFVACQVOFULFESB-PHDIDXHHSA-N
MW203.63 g/mol
LogP2.98
Rot. Bonds2

About [(1R,2R)-2-azidocyclohexyl] carbonochloridate

[(1R,2R)-2-azidocyclohexyl] carbonochloridate (PubChem CID 91623762) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is [(1R,2R)-2-azidocyclohexyl] carbonochloridate.

Molecular Properties

Compound Name[(1R,2R)-2-azidocyclohexyl] carbonochloridate
PubChem CID91623762
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name[(1R,2R)-2-azidocyclohexyl] carbonochloridate
SMILES[N-]=[N+]=N[C@@H]1CCCC[C@H]1OC(=O)Cl
InChIInChI=1S/C7H10ClN3O2/c8-7(12)13-6-4-2-1-3-5(6)10-11-9/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyFVACQVOFULFESB-PHDIDXHHSA-N
XLogP2.98
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,2R)-2-azidocyclohexyl] carbonochloridate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-azido-2-hydroperoxycyclododecane
CID 176903012
trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid
CID 11469195
cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
CID 167634886
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
(2-fluorocyclopropyl) carbonochloridate
CID 22435344
[(1R,2S,3S,4R,6S)-2-acetyloxy-4,6-diazido-3-(chloromethoxy)cyclohexyl] acetate
CID 102462538
4-[(1R,2R)-2-azidocyclohexyl]oxysulfonyl-N-hydroxybenzeneamine oxide
CID 58607060
[(1S,3R,4S,6R)-3-acetyloxy-4,6-diazido-2-hydroxycyclohexyl] acetate
CID 101051062
[(1S,3R,4R)-4-azido-3-hydroxycyclohexyl] acetate
CID 89412313
trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid
CID 101028855
cyclohexyl carbonochloridate;methane
CID 157322505
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azidocyclohexyl] carbonochloridate?
The IUPAC name of [(1R,2R)-2-azidocyclohexyl] carbonochloridate (CID 91623762) is [(1R,2R)-2-azidocyclohexyl] carbonochloridate.
What is the SMILES notation for [(1R,2R)-2-azidocyclohexyl] carbonochloridate?
The canonical SMILES for [(1R,2R)-2-azidocyclohexyl] carbonochloridate is [N-]=[N+]=N[C@@H]1CCCC[C@H]1OC(=O)Cl.
What is the InChIKey of [(1R,2R)-2-azidocyclohexyl] carbonochloridate?
The InChIKey is FVACQVOFULFESB-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-7(12)13-6-4-2-1-3-5(6)10-11-9/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of [(1R,2R)-2-azidocyclohexyl] carbonochloridate?
[(1R,2R)-2-azidocyclohexyl] carbonochloridate has a molecular weight of 203.63 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azidocyclohexyl] carbonochloridate is sourced from PubChem (CID 91623762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).