3-N-methylnaphthalene-2,3-diimine

C11H10N2 — CID 89322444

IUPAC3-N-methylnaphthalene-2,3-diimine
SMILES[H]/N=C1\C=c2ccccc2=C\C1=N/C
InChIInChI=1S/C11H10N2/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7,12H,1H3/b12-10+,13-11+
InChIKeyDLILENOYSOYZIU-DCIPZJNNSA-N
MW170.21 g/mol
LogP0.35
Rot. Bonds

About 3-N-methylnaphthalene-2,3-diimine

3-N-methylnaphthalene-2,3-diimine (PubChem CID 89322444) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-N-methylnaphthalene-2,3-diimine.

Molecular Properties

Compound Name3-N-methylnaphthalene-2,3-diimine
PubChem CID89322444
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name3-N-methylnaphthalene-2,3-diimine
SMILES[H]/N=C1\C=c2ccccc2=C\C1=N/C
InChIInChI=1S/C11H10N2/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7,12H,1H3/b12-10+,13-11+
InChIKeyDLILENOYSOYZIU-DCIPZJNNSA-N
XLogP0.35
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-methylnaphthalene-2,3-diimine?
The IUPAC name of 3-N-methylnaphthalene-2,3-diimine (CID 89322444) is 3-N-methylnaphthalene-2,3-diimine.
What is the SMILES notation for 3-N-methylnaphthalene-2,3-diimine?
The canonical SMILES for 3-N-methylnaphthalene-2,3-diimine is [H]/N=C1\C=c2ccccc2=C\C1=N/C.
What is the InChIKey of 3-N-methylnaphthalene-2,3-diimine?
The InChIKey is DLILENOYSOYZIU-DCIPZJNNSA-N. The full InChI is InChI=1S/C11H10N2/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7,12H,1H3/b12-10+,13-11+.
What are the key properties of 3-N-methylnaphthalene-2,3-diimine?
3-N-methylnaphthalene-2,3-diimine has a molecular weight of 170.21 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methylnaphthalene-2,3-diimine is sourced from PubChem (CID 89322444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).