4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline

C14H12N2O — CID 90290134

IUPAC4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline
SMILESCc1ccc2c(n1)-c1nc(C)ccc1C1OC21
InChIInChI=1S/C14H12N2O/c1-7-3-5-9-11(15-7)12-10(14-13(9)17-14)6-4-8(2)16-12/h3-6,13-14H,1-2H3
InChIKeyMVMBVAMZEREMKS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.89
Rot. Bonds

About 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline

4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline (PubChem CID 90290134) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline
PubChem CID90290134
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline
SMILESCc1ccc2c(n1)-c1nc(C)ccc1C1OC21
InChIInChI=1S/C14H12N2O/c1-7-3-5-9-11(15-7)12-10(14-13(9)17-14)6-4-8(2)16-12/h3-6,13-14H,1-2H3
InChIKeyMVMBVAMZEREMKS-UHFFFAOYSA-N
XLogP2.89
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline?
The IUPAC name of 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline (CID 90290134) is 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline?
The canonical SMILES for 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline is Cc1ccc2c(n1)-c1nc(C)ccc1C1OC21.
What is the InChIKey of 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline?
The InChIKey is MVMBVAMZEREMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-7-3-5-9-11(15-7)12-10(14-13(9)17-14)6-4-8(2)16-12/h3-6,13-14H,1-2H3.
What are the key properties of 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline?
4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline has a molecular weight of 224.26 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 90290134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).