N-methylperoxybenzo[a]fluoren-1-imine

C18H13NO2 — CID 141413724

IUPACN-methylperoxybenzo[a]fluoren-1-imine
SMILESCOON=C1C=CC=c2ccc3c(c21)C=c1ccccc1=3
InChIInChI=1S/C18H13NO2/c1-20-21-19-17-8-4-6-12-9-10-15-14-7-3-2-5-13(14)11-16(15)18(12)17/h2-11H,1H3
InChIKeyODGINYMIMYYBQR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.75
Rot. Bonds2

About N-methylperoxybenzo[a]fluoren-1-imine

N-methylperoxybenzo[a]fluoren-1-imine (PubChem CID 141413724) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methylperoxybenzo[a]fluoren-1-imine.

Molecular Properties

Compound NameN-methylperoxybenzo[a]fluoren-1-imine
PubChem CID141413724
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC NameN-methylperoxybenzo[a]fluoren-1-imine
SMILESCOON=C1C=CC=c2ccc3c(c21)C=c1ccccc1=3
InChIInChI=1S/C18H13NO2/c1-20-21-19-17-8-4-6-12-9-10-15-14-7-3-2-5-13(14)11-16(15)18(12)17/h2-11H,1H3
InChIKeyODGINYMIMYYBQR-UHFFFAOYSA-N
XLogP1.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-methylcyclopenta[a]fluorene
CID 150535311
cyclopenta[a]fluoren-1-yl(dimethoxy)silane
CID 160805248
1H-azepine;hexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1,3,5,7,10,12,14,16,18,20,22,24-dodecaen-9-one
CID 174843676
indeno[2,1-f]quinolin-1-one
CID 154129732
1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
CID 21263272
bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)
CID 87649127
bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride
CID 87773551
1H-cyclopenta[a]fluoren-1-ide;ethylbenzene;methanidylbenzene;zirconium(4+)
CID 150323383
as-indacene;benzene
CID 161093559
2,4-dichlorobenzo[a]fluoren-1-one;pyrimidine
CID 175051503
cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)
CID 87773413
3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol
CID 87997674

Frequently Asked Questions

What is the IUPAC name of N-methylperoxybenzo[a]fluoren-1-imine?
The IUPAC name of N-methylperoxybenzo[a]fluoren-1-imine (CID 141413724) is N-methylperoxybenzo[a]fluoren-1-imine.
What is the SMILES notation for N-methylperoxybenzo[a]fluoren-1-imine?
The canonical SMILES for N-methylperoxybenzo[a]fluoren-1-imine is COON=C1C=CC=c2ccc3c(c21)C=c1ccccc1=3.
What is the InChIKey of N-methylperoxybenzo[a]fluoren-1-imine?
The InChIKey is ODGINYMIMYYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-20-21-19-17-8-4-6-12-9-10-15-14-7-3-2-5-13(14)11-16(15)18(12)17/h2-11H,1H3.
What are the key properties of N-methylperoxybenzo[a]fluoren-1-imine?
N-methylperoxybenzo[a]fluoren-1-imine has a molecular weight of 275.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylperoxybenzo[a]fluoren-1-imine is sourced from PubChem (CID 141413724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).