CID 139240493

C10H19ClN2Zn — CID 139240493

IUPAC—
SMILESCCCCN1[C]N(C)C=C1.Cl[Zn+].[CH2-]C
InChIInChI=1S/C8H14N2.C2H5.ClH.Zn/c1-3-4-5-10-7-6-9(2)8-10;1-2;;/h6-7H,3-5H2,1-2H3;1H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyBVPFTZDTEOQKIR-UHFFFAOYSA-M
MW268.12 g/mol
LogP3.03
Rot. Bonds3

About CID 139240493

CID 139240493 (PubChem CID 139240493) has the molecular formula C10H19ClN2Zn and a molecular weight of 268.12 g/mol.

Molecular Properties

Compound NameCID 139240493
PubChem CID139240493
Molecular FormulaC10H19ClN2Zn
Molecular Weight268.12 g/mol
Exact Mass266.05
IUPAC Name—
SMILESCCCCN1[C]N(C)C=C1.Cl[Zn+].[CH2-]C
InChIInChI=1S/C8H14N2.C2H5.ClH.Zn/c1-3-4-5-10-7-6-9(2)8-10;1-2;;/h6-7H,3-5H2,1-2H3;1H2,2H3;1H;/q;-1;;+2/p-1
InChIKeyBVPFTZDTEOQKIR-UHFFFAOYSA-M
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 139240493?
The IUPAC name of CID 139240493 (CID 139240493) is not available.
What is the SMILES notation for CID 139240493?
The canonical SMILES for CID 139240493 is CCCCN1[C]N(C)C=C1.Cl[Zn+].[CH2-]C.
What is the InChIKey of CID 139240493?
The InChIKey is BVPFTZDTEOQKIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14N2.C2H5.ClH.Zn/c1-3-4-5-10-7-6-9(2)8-10;1-2;;/h6-7H,3-5H2,1-2H3;1H2,2H3;1H;/q;-1;;+2/p-1.
What are the key properties of CID 139240493?
CID 139240493 has a molecular weight of 268.12 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139240493 is sourced from PubChem (CID 139240493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).