CID 73212630

C12H11N2O2 — CID 73212630

IUPAC—
SMILESO=c1ccn(C/C=C/[C]2[CH][CH][CH][CH]2)c(=O)[nH]1
InChIInChI=1S/C12H11N2O2/c15-11-7-9-14(12(16)13-11)8-3-6-10-4-1-2-5-10/h1-7,9H,8H2,(H,13,15,16)/b6-3+
InChIKeyDJKZWVCGRAAJHA-ZZXKWVIFSA-N
MW215.23 g/mol
LogP0.50
Rot. Bonds3

About CID 73212630

CID 73212630 (PubChem CID 73212630) has the molecular formula C12H11N2O2 and a molecular weight of 215.23 g/mol.

Molecular Properties

Compound NameCID 73212630
PubChem CID73212630
Molecular FormulaC12H11N2O2
Molecular Weight215.23 g/mol
Exact Mass215.08
IUPAC Name—
SMILESO=c1ccn(C/C=C/[C]2[CH][CH][CH][CH]2)c(=O)[nH]1
InChIInChI=1S/C12H11N2O2/c15-11-7-9-14(12(16)13-11)8-3-6-10-4-1-2-5-10/h1-7,9H,8H2,(H,13,15,16)/b6-3+
InChIKeyDJKZWVCGRAAJHA-ZZXKWVIFSA-N
XLogP0.50
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 73212630?
The IUPAC name of CID 73212630 (CID 73212630) is not available.
What is the SMILES notation for CID 73212630?
The canonical SMILES for CID 73212630 is O=c1ccn(C/C=C/[C]2[CH][CH][CH][CH]2)c(=O)[nH]1.
What is the InChIKey of CID 73212630?
The InChIKey is DJKZWVCGRAAJHA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H11N2O2/c15-11-7-9-14(12(16)13-11)8-3-6-10-4-1-2-5-10/h1-7,9H,8H2,(H,13,15,16)/b6-3+.
What are the key properties of CID 73212630?
CID 73212630 has a molecular weight of 215.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73212630 is sourced from PubChem (CID 73212630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).