(4S,9S)-4,9-diazidospiro[4.4]nonane

C9H14N6 — CID 58321015

IUPAC(4S,9S)-4,9-diazidospiro[4.4]nonane
SMILES[N-]=[N+]=N[C@H]1CCCC12CCC[C@@H]2N=[N+]=[N-]
InChIInChI=1S/C9H14N6/c10-14-12-7-3-1-5-9(7)6-2-4-8(9)13-15-11/h7-8H,1-6H2/t7-,8-,9?/m0/s1
InChIKeyMXTJXZBGMQOHNM-JVIMKECRSA-N
MW206.25 g/mol
LogP3.70
Rot. Bonds2

About (4S,9S)-4,9-diazidospiro[4.4]nonane

(4S,9S)-4,9-diazidospiro[4.4]nonane (PubChem CID 58321015) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is (4S,9S)-4,9-diazidospiro[4.4]nonane.

Molecular Properties

Compound Name(4S,9S)-4,9-diazidospiro[4.4]nonane
PubChem CID58321015
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name(4S,9S)-4,9-diazidospiro[4.4]nonane
SMILES[N-]=[N+]=N[C@H]1CCCC12CCC[C@@H]2N=[N+]=[N-]
InChIInChI=1S/C9H14N6/c10-14-12-7-3-1-5-9(7)6-2-4-8(9)13-15-11/h7-8H,1-6H2/t7-,8-,9?/m0/s1
InChIKeyMXTJXZBGMQOHNM-JVIMKECRSA-N
XLogP3.70
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of (4S,9S)-4,9-diazidospiro[4.4]nonane?
The IUPAC name of (4S,9S)-4,9-diazidospiro[4.4]nonane (CID 58321015) is (4S,9S)-4,9-diazidospiro[4.4]nonane.
What is the SMILES notation for (4S,9S)-4,9-diazidospiro[4.4]nonane?
The canonical SMILES for (4S,9S)-4,9-diazidospiro[4.4]nonane is [N-]=[N+]=N[C@H]1CCCC12CCC[C@@H]2N=[N+]=[N-].
What is the InChIKey of (4S,9S)-4,9-diazidospiro[4.4]nonane?
The InChIKey is MXTJXZBGMQOHNM-JVIMKECRSA-N. The full InChI is InChI=1S/C9H14N6/c10-14-12-7-3-1-5-9(7)6-2-4-8(9)13-15-11/h7-8H,1-6H2/t7-,8-,9?/m0/s1.
What are the key properties of (4S,9S)-4,9-diazidospiro[4.4]nonane?
(4S,9S)-4,9-diazidospiro[4.4]nonane has a molecular weight of 206.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9S)-4,9-diazidospiro[4.4]nonane is sourced from PubChem (CID 58321015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).