[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide

C11H12N2O3 — CID 22106606

IUPAC[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
SMILESCOc1ccc(NC#N)c(C2OCCO2)c1
InChIInChI=1S/C11H12N2O3/c1-14-8-2-3-10(13-7-12)9(6-8)11-15-4-5-16-11/h2-3,6,11,13H,4-5H2,1H3
InChIKeyPQNWGZHIYGTORX-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.63
Rot. Bonds3

About [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide

[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide (PubChem CID 22106606) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
PubChem CID22106606
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
SMILESCOc1ccc(NC#N)c(C2OCCO2)c1
InChIInChI=1S/C11H12N2O3/c1-14-8-2-3-10(13-7-12)9(6-8)11-15-4-5-16-11/h2-3,6,11,13H,4-5H2,1H3
InChIKeyPQNWGZHIYGTORX-UHFFFAOYSA-N
XLogP1.63
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide (CID 22106606) is [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide is COc1ccc(NC#N)c(C2OCCO2)c1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide?
The InChIKey is PQNWGZHIYGTORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-14-8-2-3-10(13-7-12)9(6-8)11-15-4-5-16-11/h2-3,6,11,13H,4-5H2,1H3.
What are the key properties of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide?
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide has a molecular weight of 220.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide is sourced from PubChem (CID 22106606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).