(2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one

C13H16N2O — CID 6023797

IUPAC(2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one
SMILESCc1ccc(N/C=C2\CCCCC2=O)nc1
InChIInChI=1S/C13H16N2O/c1-10-6-7-13(14-8-10)15-9-11-4-2-3-5-12(11)16/h6-9H,2-5H2,1H3,(H,14,15)/b11-9+
InChIKeyZSAGEOAENHTLLJ-PKNBQFBNSA-N
MW216.28 g/mol
LogP2.83
Rot. Bonds2

About (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one

(2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one (PubChem CID 6023797) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one
PubChem CID6023797
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one
SMILESCc1ccc(N/C=C2\CCCCC2=O)nc1
InChIInChI=1S/C13H16N2O/c1-10-6-7-13(14-8-10)15-9-11-4-2-3-5-12(11)16/h6-9H,2-5H2,1H3,(H,14,15)/b11-9+
InChIKeyZSAGEOAENHTLLJ-PKNBQFBNSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one?
The IUPAC name of (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one (CID 6023797) is (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one is Cc1ccc(N/C=C2\CCCCC2=O)nc1.
What is the InChIKey of (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one?
The InChIKey is ZSAGEOAENHTLLJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-6-7-13(14-8-10)15-9-11-4-2-3-5-12(11)16/h6-9H,2-5H2,1H3,(H,14,15)/b11-9+.
What are the key properties of (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one?
(2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[(5-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one is sourced from PubChem (CID 6023797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).