CID 162419071

C12H13N2O2 — CID 162419071

IUPAC—
SMILESCCOC(=O)[C]1CC(c2ccccc2)N=N1
InChIInChI=1S/C12H13N2O2/c1-2-16-12(15)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyNYXHVXHVUSAOIA-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.68
Rot. Bonds3

About CID 162419071

CID 162419071 (PubChem CID 162419071) has the molecular formula C12H13N2O2 and a molecular weight of 217.25 g/mol.

Molecular Properties

Compound NameCID 162419071
PubChem CID162419071
Molecular FormulaC12H13N2O2
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name—
SMILESCCOC(=O)[C]1CC(c2ccccc2)N=N1
InChIInChI=1S/C12H13N2O2/c1-2-16-12(15)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyNYXHVXHVUSAOIA-UHFFFAOYSA-N
XLogP2.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 162419071?
The IUPAC name of CID 162419071 (CID 162419071) is not available.
What is the SMILES notation for CID 162419071?
The canonical SMILES for CID 162419071 is CCOC(=O)[C]1CC(c2ccccc2)N=N1.
What is the InChIKey of CID 162419071?
The InChIKey is NYXHVXHVUSAOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O2/c1-2-16-12(15)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of CID 162419071?
CID 162419071 has a molecular weight of 217.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162419071 is sourced from PubChem (CID 162419071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).