(Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine

C22H20N2O2 — CID 34309346

IUPAC(Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine
SMILESC[C@H]1Oc2ccccc2C=C1/C=N\N=C/C1=Cc2ccccc2O[C@@H]1C
InChIInChI=1S/C22H20N2O2/c1-15-19(11-17-7-3-5-9-21(17)25-15)13-23-24-14-20-12-18-8-4-6-10-22(18)26-16(20)2/h3-16H,1-2H3/b23-13-,24-14-/t15-,16-/m1/s1
InChIKeyINHNHGUBWMXLHV-DYAUSWQJSA-N
MW344.41 g/mol
LogP4.77
Rot. Bonds3

About (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine

(Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine (PubChem CID 34309346) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine.

Molecular Properties

Compound Name(Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine
PubChem CID34309346
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine
SMILESC[C@H]1Oc2ccccc2C=C1/C=N\N=C/C1=Cc2ccccc2O[C@@H]1C
InChIInChI=1S/C22H20N2O2/c1-15-19(11-17-7-3-5-9-21(17)25-15)13-23-24-14-20-12-18-8-4-6-10-22(18)26-16(20)2/h3-16H,1-2H3/b23-13-,24-14-/t15-,16-/m1/s1
InChIKeyINHNHGUBWMXLHV-DYAUSWQJSA-N
XLogP4.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine?
The IUPAC name of (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine (CID 34309346) is (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine.
What is the SMILES notation for (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine?
The canonical SMILES for (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine is C[C@H]1Oc2ccccc2C=C1/C=N\N=C/C1=Cc2ccccc2O[C@@H]1C.
What is the InChIKey of (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine?
The InChIKey is INHNHGUBWMXLHV-DYAUSWQJSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-19(11-17-7-3-5-9-21(17)25-15)13-23-24-14-20-12-18-8-4-6-10-22(18)26-16(20)2/h3-16H,1-2H3/b23-13-,24-14-/t15-,16-/m1/s1.
What are the key properties of (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine?
(Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine has a molecular weight of 344.41 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2R)-2-methyl-2H-chromen-3-yl]-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]methanimine is sourced from PubChem (CID 34309346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).