4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile

C11H7N3O — CID 12909291

IUPAC4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile
SMILESN#Cc1cn2c(n1)COc1ccccc1-2
InChIInChI=1S/C11H7N3O/c12-5-8-6-14-9-3-1-2-4-10(9)15-7-11(14)13-8/h1-4,6H,7H2
InChIKeyOPDPWJMNJNISNU-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.64
Rot. Bonds

About 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile

4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile (PubChem CID 12909291) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile.

Molecular Properties

Compound Name4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile
PubChem CID12909291
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile
SMILESN#Cc1cn2c(n1)COc1ccccc1-2
InChIInChI=1S/C11H7N3O/c12-5-8-6-14-9-3-1-2-4-10(9)15-7-11(14)13-8/h1-4,6H,7H2
InChIKeyOPDPWJMNJNISNU-UHFFFAOYSA-N
XLogP1.64
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile?
The IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile (CID 12909291) is 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile.
What is the SMILES notation for 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile?
The canonical SMILES for 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile is N#Cc1cn2c(n1)COc1ccccc1-2.
What is the InChIKey of 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile?
The InChIKey is OPDPWJMNJNISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c12-5-8-6-14-9-3-1-2-4-10(9)15-7-11(14)13-8/h1-4,6H,7H2.
What are the key properties of 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile?
4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile has a molecular weight of 197.20 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[2,1-c][1,4]benzoxazine-2-carbonitrile is sourced from PubChem (CID 12909291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).