1-nitroso-4-propan-2-ylbenzene;zinc

C9H10NOZn- — CID 163568516

IUPAC1-nitroso-4-propan-2-ylbenzene;zinc
SMILESC[C-](C)c1ccc(N=O)cc1.[Zn]
InChIInChI=1S/C9H10NO.Zn/c1-7(2)8-3-5-9(10-11)6-4-8;/h3-6H,1-2H3;/q-1;
InChIKeyDEDDFVBQSHQFDN-UHFFFAOYSA-N
MW213.58 g/mol
LogP3.04
Rot. Bonds2

About 1-nitroso-4-propan-2-ylbenzene;zinc

1-nitroso-4-propan-2-ylbenzene;zinc (PubChem CID 163568516) has the molecular formula C9H10NOZn- and a molecular weight of 213.58 g/mol. Its IUPAC name is 1-nitroso-4-propan-2-ylbenzene;zinc.

Molecular Properties

Compound Name1-nitroso-4-propan-2-ylbenzene;zinc
PubChem CID163568516
Molecular FormulaC9H10NOZn-
Molecular Weight213.58 g/mol
Exact Mass212.01
IUPAC Name1-nitroso-4-propan-2-ylbenzene;zinc
SMILESC[C-](C)c1ccc(N=O)cc1.[Zn]
InChIInChI=1S/C9H10NO.Zn/c1-7(2)8-3-5-9(10-11)6-4-8;/h3-6H,1-2H3;/q-1;
InChIKeyDEDDFVBQSHQFDN-UHFFFAOYSA-N
XLogP3.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.58
LogP ≤ 53.04
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 1-nitroso-4-propan-2-ylbenzene;zinc?
The IUPAC name of 1-nitroso-4-propan-2-ylbenzene;zinc (CID 163568516) is 1-nitroso-4-propan-2-ylbenzene;zinc.
What is the SMILES notation for 1-nitroso-4-propan-2-ylbenzene;zinc?
The canonical SMILES for 1-nitroso-4-propan-2-ylbenzene;zinc is C[C-](C)c1ccc(N=O)cc1.[Zn].
What is the InChIKey of 1-nitroso-4-propan-2-ylbenzene;zinc?
The InChIKey is DEDDFVBQSHQFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO.Zn/c1-7(2)8-3-5-9(10-11)6-4-8;/h3-6H,1-2H3;/q-1;.
What are the key properties of 1-nitroso-4-propan-2-ylbenzene;zinc?
1-nitroso-4-propan-2-ylbenzene;zinc has a molecular weight of 213.58 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-propan-2-ylbenzene;zinc is sourced from PubChem (CID 163568516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).