trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol

C18H18N4O — CID 134238564

IUPACtrans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol
SMILES[N-]=[N+]=NC1CCC[C@@H](n2c3ccccc3c3ccccc32)[C@@H]1O
InChIInChI=1S/C18H18N4O/c19-21-20-14-8-5-11-17(18(14)23)22-15-9-3-1-6-12(15)13-7-2-4-10-16(13)22/h1-4,6-7,9-10,14,17-18,23H,5,8,11H2/t14?,17-,18-/m1/s1
InChIKeyAUMFYPDQRUXNRJ-KNHHTTPFSA-N
MW306.37 g/mol
LogP4.56
Rot. Bonds2

About trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol

trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol (PubChem CID 134238564) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol
PubChem CID134238564
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Nametrans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol
SMILES[N-]=[N+]=NC1CCC[C@@H](n2c3ccccc3c3ccccc32)[C@@H]1O
InChIInChI=1S/C18H18N4O/c19-21-20-14-8-5-11-17(18(14)23)22-15-9-3-1-6-12(15)13-7-2-4-10-16(13)22/h1-4,6-7,9-10,14,17-18,23H,5,8,11H2/t14?,17-,18-/m1/s1
InChIKeyAUMFYPDQRUXNRJ-KNHHTTPFSA-N
XLogP4.56
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol
CID 134238529
3-carbazol-9-ylcyclohexane-1,2-diol
CID 123529337
cis-(1R,2S)-3-carbazol-9-ylcycloheptane-1,2-diol
CID 140895217
3-carbazol-9-ylcycloheptane-1,2-diol
CID 126531025
2-amino-6-carbazol-9-ylcyclohexan-1-ol
CID 123469033
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
9-cyclobutylcarbazole
CID 66713557
trans-(1R,6S)-2-azido-6-(4-fluoroindazol-2-yl)cyclohexan-1-ol
CID 166831954
trans-(1S,6R)-2-azido-6-(3-fluoro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclohexan-1-ol
CID 134402307
2,5-diazidocyclopentan-1-ol
CID 85255446
9-cyclononylcarbazole
CID 139570160

Frequently Asked Questions

What is the IUPAC name of trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol?
The IUPAC name of trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol (CID 134238564) is trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol is [N-]=[N+]=NC1CCC[C@@H](n2c3ccccc3c3ccccc32)[C@@H]1O.
What is the InChIKey of trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol?
The InChIKey is AUMFYPDQRUXNRJ-KNHHTTPFSA-N. The full InChI is InChI=1S/C18H18N4O/c19-21-20-14-8-5-11-17(18(14)23)22-15-9-3-1-6-12(15)13-7-2-4-10-16(13)22/h1-4,6-7,9-10,14,17-18,23H,5,8,11H2/t14?,17-,18-/m1/s1.
What are the key properties of trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol?
trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol has a molecular weight of 306.37 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol is sourced from PubChem (CID 134238564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).