(Z)-9-azido-1-chloronon-4-ene

C9H16ClN3 — CID 10631925

IUPAC(Z)-9-azido-1-chloronon-4-ene
SMILES[N-]=[N+]=NCCCC/C=C\CCCCl
InChIInChI=1S/C9H16ClN3/c10-8-6-4-2-1-3-5-7-9-12-13-11/h1-2H,3-9H2/b2-1-
InChIKeyRHOPBWVUVLJKHP-UPHRSURJSA-N
MW201.70 g/mol
LogP4.04
Rot. Bonds8

About (Z)-9-azido-1-chloronon-4-ene

(Z)-9-azido-1-chloronon-4-ene (PubChem CID 10631925) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is (Z)-9-azido-1-chloronon-4-ene.

Molecular Properties

Compound Name(Z)-9-azido-1-chloronon-4-ene
PubChem CID10631925
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name(Z)-9-azido-1-chloronon-4-ene
SMILES[N-]=[N+]=NCCCC/C=C\CCCCl
InChIInChI=1S/C9H16ClN3/c10-8-6-4-2-1-3-5-7-9-12-13-11/h1-2H,3-9H2/b2-1-
InChIKeyRHOPBWVUVLJKHP-UPHRSURJSA-N
XLogP4.04
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 54.04
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-9-azido-1-chloronon-4-ene?
The IUPAC name of (Z)-9-azido-1-chloronon-4-ene (CID 10631925) is (Z)-9-azido-1-chloronon-4-ene.
What is the SMILES notation for (Z)-9-azido-1-chloronon-4-ene?
The canonical SMILES for (Z)-9-azido-1-chloronon-4-ene is [N-]=[N+]=NCCCC/C=C\CCCCl.
What is the InChIKey of (Z)-9-azido-1-chloronon-4-ene?
The InChIKey is RHOPBWVUVLJKHP-UPHRSURJSA-N. The full InChI is InChI=1S/C9H16ClN3/c10-8-6-4-2-1-3-5-7-9-12-13-11/h1-2H,3-9H2/b2-1-.
What are the key properties of (Z)-9-azido-1-chloronon-4-ene?
(Z)-9-azido-1-chloronon-4-ene has a molecular weight of 201.70 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-azido-1-chloronon-4-ene is sourced from PubChem (CID 10631925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).