(6S)-6-azidonon-1-ene

C9H17N3 — CID 52951779

IUPAC(6S)-6-azidonon-1-ene
SMILESC=CCCC[C@H](CCC)N=[N+]=[N-]
InChIInChI=1S/C9H17N3/c1-3-5-6-8-9(7-4-2)11-12-10/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyFWISGIKKOIAFHJ-VIFPVBQESA-N
MW167.26 g/mol
LogP3.82
Rot. Bonds7

About (6S)-6-azidonon-1-ene

(6S)-6-azidonon-1-ene (PubChem CID 52951779) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (6S)-6-azidonon-1-ene.

Molecular Properties

Compound Name(6S)-6-azidonon-1-ene
PubChem CID52951779
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(6S)-6-azidonon-1-ene
SMILESC=CCCC[C@H](CCC)N=[N+]=[N-]
InChIInChI=1S/C9H17N3/c1-3-5-6-8-9(7-4-2)11-12-10/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyFWISGIKKOIAFHJ-VIFPVBQESA-N
XLogP3.82
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-azidonon-1-ene?
The IUPAC name of (6S)-6-azidonon-1-ene (CID 52951779) is (6S)-6-azidonon-1-ene.
What is the SMILES notation for (6S)-6-azidonon-1-ene?
The canonical SMILES for (6S)-6-azidonon-1-ene is C=CCCC[C@H](CCC)N=[N+]=[N-].
What is the InChIKey of (6S)-6-azidonon-1-ene?
The InChIKey is FWISGIKKOIAFHJ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-6-8-9(7-4-2)11-12-10/h3,9H,1,4-8H2,2H3/t9-/m0/s1.
What are the key properties of (6S)-6-azidonon-1-ene?
(6S)-6-azidonon-1-ene has a molecular weight of 167.26 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-azidonon-1-ene is sourced from PubChem (CID 52951779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).