1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine

C21H20N2O — CID 174505566

IUPAC1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine
SMILESC1=CC=CNC=C1.CON=Cc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H13NO.C6H7N/c1-17-16-10-12-6-4-8-14-13-7-3-2-5-11(13)9-15(12)14;1-2-4-6-7-5-3-1/h2-8,10H,9H2,1H3;1-7H
InChIKeyQTMYAVAAGKKMAZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.41
Rot. Bonds2

About 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine

1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine (PubChem CID 174505566) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine.

Molecular Properties

Compound Name1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine
PubChem CID174505566
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine
SMILESC1=CC=CNC=C1.CON=Cc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H13NO.C6H7N/c1-17-16-10-12-6-4-8-14-13-7-3-2-5-11(13)9-15(12)14;1-2-4-6-7-5-3-1/h2-8,10H,9H2,1H3;1-7H
InChIKeyQTMYAVAAGKKMAZ-UHFFFAOYSA-N
XLogP4.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 173091972
2-(9H-fluoren-1-yl)ethenyl hypofluorite
CID 172862846
2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline
CID 70405574
1H-azepine;9H-fluorene-2-carboxylic acid
CID 174434519
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-(2,3-dimethoxyphenyl)-9H-fluorene
CID 150272251
N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23015587
CID 123562270
CID 123562270
bis(9H-fluoren-1-yl)-dimethylgermane
CID 22068853
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate
CID 140552483

Frequently Asked Questions

What is the IUPAC name of 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine?
The IUPAC name of 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine (CID 174505566) is 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine.
What is the SMILES notation for 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine?
The canonical SMILES for 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine is C1=CC=CNC=C1.CON=Cc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine?
The InChIKey is QTMYAVAAGKKMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO.C6H7N/c1-17-16-10-12-6-4-8-14-13-7-3-2-5-11(13)9-15(12)14;1-2-4-6-7-5-3-1/h2-8,10H,9H2,1H3;1-7H.
What are the key properties of 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine?
1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine has a molecular weight of 316.40 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;1-(9H-fluoren-1-yl)-N-methoxymethanimine is sourced from PubChem (CID 174505566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).