potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine

C17H27KN2 — CID 143953103

IUPACpotassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine
SMILESCC.CC.CC.[H]/N=C/c1c(C=C)[n-]c2ccccc12.[K+]
InChIInChI=1S/C11H9N2.3C2H6.K/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10;3*1-2;/h2-7,12H,1H2;3*1-2H3;/q-1;;;;+1/b12-7+;;;;
InChIKeySCJQIWKDCWOHFI-BLSNBFPRSA-N
MW298.52 g/mol
LogP2.52
Rot. Bonds2

About potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine

potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine (PubChem CID 143953103) has the molecular formula C17H27KN2 and a molecular weight of 298.52 g/mol. Its IUPAC name is potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine.

Molecular Properties

Compound Namepotassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine
PubChem CID143953103
Molecular FormulaC17H27KN2
Molecular Weight298.52 g/mol
Exact Mass298.18
IUPAC Namepotassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine
SMILESCC.CC.CC.[H]/N=C/c1c(C=C)[n-]c2ccccc12.[K+]
InChIInChI=1S/C11H9N2.3C2H6.K/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10;3*1-2;/h2-7,12H,1H2;3*1-2H3;/q-1;;;;+1/b12-7+;;;;
InChIKeySCJQIWKDCWOHFI-BLSNBFPRSA-N
XLogP2.52
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2-ethenyl-6-methylphenyl)methanimine
CID 156888236
3-methanimidoyl-1-benzothiophen-2-ol
CID 136969989
3-methanimidoyl-1-methoxyindole-2-thiol
CID 136763080
ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen
CID 143716531
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
9-ethenyl-10-methylphenanthrene
CID 123648763
2-methanimidoylbenzene-1,3-diamine
CID 88563224
(2-ethenyl-4,6-dimethylphenyl)methanimine
CID 142023097
2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
CID 145060284
[2-(chloromethyl)phenanthren-1-yl]methanimine
CID 144673749
(4-methoxyphenyl)methanimine;phenylmethanimine
CID 157101664

Frequently Asked Questions

What is the IUPAC name of potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine?
The IUPAC name of potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine (CID 143953103) is potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine.
What is the SMILES notation for potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine?
The canonical SMILES for potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine is CC.CC.CC.[H]/N=C/c1c(C=C)[n-]c2ccccc12.[K+].
What is the InChIKey of potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine?
The InChIKey is SCJQIWKDCWOHFI-BLSNBFPRSA-N. The full InChI is InChI=1S/C11H9N2.3C2H6.K/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10;3*1-2;/h2-7,12H,1H2;3*1-2H3;/q-1;;;;+1/b12-7+;;;;.
What are the key properties of potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine?
potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine has a molecular weight of 298.52 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;(2-ethenylindol-1-id-3-yl)methanimine is sourced from PubChem (CID 143953103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).