N-methylxanthen-9-imine

C14H11NO — CID 14265482

IUPACN-methylxanthen-9-imine
SMILESCN=c1c2ccccc2oc2ccccc12
InChIInChI=1S/C14H11NO/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3
InChIKeyNGSNLKUIJMXGBH-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.12
Rot. Bonds

About N-methylxanthen-9-imine

N-methylxanthen-9-imine (PubChem CID 14265482) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is N-methylxanthen-9-imine.

Molecular Properties

Compound NameN-methylxanthen-9-imine
PubChem CID14265482
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC NameN-methylxanthen-9-imine
SMILESCN=c1c2ccccc2oc2ccccc12
InChIInChI=1S/C14H11NO/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3
InChIKeyNGSNLKUIJMXGBH-UHFFFAOYSA-N
XLogP3.12
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 318437
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CID 5323568
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CID 5465885
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CID 10948816
CID 10948816
CID 160864
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CID 4486698
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CID 11076758
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Frequently Asked Questions

What is the IUPAC name of N-methylxanthen-9-imine?
The IUPAC name of N-methylxanthen-9-imine (CID 14265482) is N-methylxanthen-9-imine.
What is the SMILES notation for N-methylxanthen-9-imine?
The canonical SMILES for N-methylxanthen-9-imine is CN=c1c2ccccc2oc2ccccc12.
What is the InChIKey of N-methylxanthen-9-imine?
The InChIKey is NGSNLKUIJMXGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3.
What are the key properties of N-methylxanthen-9-imine?
N-methylxanthen-9-imine has a molecular weight of 209.25 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylxanthen-9-imine is sourced from PubChem (CID 14265482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).