chlorozinc(1+);phenyl N,N-diethylcarbamate

C11H14ClNO2Zn — CID 138976463

IUPACchlorozinc(1+);phenyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1[c-]cccc1.Cl[Zn+]
InChIInChI=1S/C11H14NO2.ClH.Zn/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10;;/h5-8H,3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKLEOPVJYJWSHAZ-UHFFFAOYSA-M
MW293.08 g/mol
LogP3.01
Rot. Bonds3

About chlorozinc(1+);phenyl N,N-diethylcarbamate

chlorozinc(1+);phenyl N,N-diethylcarbamate (PubChem CID 138976463) has the molecular formula C11H14ClNO2Zn and a molecular weight of 293.08 g/mol. Its IUPAC name is chlorozinc(1+);phenyl N,N-diethylcarbamate.

Molecular Properties

Compound Namechlorozinc(1+);phenyl N,N-diethylcarbamate
PubChem CID138976463
Molecular FormulaC11H14ClNO2Zn
Molecular Weight293.08 g/mol
Exact Mass291.00
IUPAC Namechlorozinc(1+);phenyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1[c-]cccc1.Cl[Zn+]
InChIInChI=1S/C11H14NO2.ClH.Zn/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10;;/h5-8H,3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKLEOPVJYJWSHAZ-UHFFFAOYSA-M
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 53.01
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 chlorozinc(1+);phenyl N,N-diethylcarbamate?
The IUPAC name of chlorozinc(1+);phenyl N,N-diethylcarbamate (CID 138976463) is chlorozinc(1+);phenyl N,N-diethylcarbamate.
What is the SMILES notation for chlorozinc(1+);phenyl N,N-diethylcarbamate?
The canonical SMILES for chlorozinc(1+);phenyl N,N-diethylcarbamate is CCN(CC)C(=O)Oc1[c-]cccc1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);phenyl N,N-diethylcarbamate?
The InChIKey is KLEOPVJYJWSHAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14NO2.ClH.Zn/c1-3-12(4-2)11(13)14-10-8-6-5-7-9-10;;/h5-8H,3-4H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);phenyl N,N-diethylcarbamate?
chlorozinc(1+);phenyl N,N-diethylcarbamate has a molecular weight of 293.08 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);phenyl N,N-diethylcarbamate is sourced from PubChem (CID 138976463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).