(4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine

C9H11Cl2N — CID 137467326

IUPAC(4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine
SMILESCC#C/C(N)=C(Cl)\C=C/C(C)Cl
InChIInChI=1S/C9H11Cl2N/c1-3-4-9(12)8(11)6-5-7(2)10/h5-7H,12H2,1-2H3/b6-5-,9-8-
InChIKeyGVTVGQASKNOMGZ-AFJQJTPPSA-N
MW204.10 g/mol
LogP2.60
Rot. Bonds2

About (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine

(4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine (PubChem CID 137467326) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine.

Molecular Properties

Compound Name(4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine
PubChem CID137467326
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name(4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine
SMILESCC#C/C(N)=C(Cl)\C=C/C(C)Cl
InChIInChI=1S/C9H11Cl2N/c1-3-4-9(12)8(11)6-5-7(2)10/h5-7H,12H2,1-2H3/b6-5-,9-8-
InChIKeyGVTVGQASKNOMGZ-AFJQJTPPSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine?
The IUPAC name of (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine (CID 137467326) is (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine.
What is the SMILES notation for (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine?
The canonical SMILES for (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine is CC#C/C(N)=C(Cl)\C=C/C(C)Cl.
What is the InChIKey of (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine?
The InChIKey is GVTVGQASKNOMGZ-AFJQJTPPSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-3-4-9(12)8(11)6-5-7(2)10/h5-7H,12H2,1-2H3/b6-5-,9-8-.
What are the key properties of (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine?
(4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine has a molecular weight of 204.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-5,8-dichloronona-4,6-dien-2-yn-4-amine is sourced from PubChem (CID 137467326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).