(4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine

C12H14N2 — CID 170188005

IUPAC(4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine
SMILESC/C1=c2\cnnc\c2=C\C=C/CCC1
InChIInChI=1S/C12H14N2/c1-10-6-4-2-3-5-7-11-8-13-14-9-12(10)11/h3,5,7-9H,2,4,6H2,1H3/b5-3-,11-7-,12-10-
InChIKeyADAXDXXOGJVZHW-MDSDDXRVSA-N
MW186.26 g/mol
LogP1.17
Rot. Bonds

About (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine

(4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine (PubChem CID 170188005) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine.

Molecular Properties

Compound Name(4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine
PubChem CID170188005
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine
SMILESC/C1=c2\cnnc\c2=C\C=C/CCC1
InChIInChI=1S/C12H14N2/c1-10-6-4-2-3-5-7-11-8-13-14-9-12(10)11/h3,5,7-9H,2,4,6H2,1H3/b5-3-,11-7-,12-10-
InChIKeyADAXDXXOGJVZHW-MDSDDXRVSA-N
XLogP1.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine?
The IUPAC name of (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine (CID 170188005) is (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine.
What is the SMILES notation for (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine?
The canonical SMILES for (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine is C/C1=c2\cnnc\c2=C\C=C/CCC1.
What is the InChIKey of (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine?
The InChIKey is ADAXDXXOGJVZHW-MDSDDXRVSA-N. The full InChI is InChI=1S/C12H14N2/c1-10-6-4-2-3-5-7-11-8-13-14-9-12(10)11/h3,5,7-9H,2,4,6H2,1H3/b5-3-,11-7-,12-10-.
What are the key properties of (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine?
(4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine has a molecular weight of 186.26 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aE,6Z,11E)-11-methyl-9,10-dihydro-8H-cyclonona[d]pyridazine is sourced from PubChem (CID 170188005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).