cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine

C18H16CoN4 — CID 59537034

IUPACcobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1/N=C(\C)c1ccc[n-]1)c1ccc[n-]1.[Co+2]
InChIInChI=1S/C18H16N4.Co/c1-13(15-9-5-11-19-15)21-17-7-3-4-8-18(17)22-14(2)16-10-6-12-20-16;/h3-12H,1-2H3;/q-2;+2/b21-13+,22-14+;
InChIKeyMXQKPWMJIBTXCL-JKBLJYNNSA-N
MW347.29 g/mol
LogP3.88
Rot. Bonds4

About cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine

cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine (PubChem CID 59537034) has the molecular formula C18H16CoN4 and a molecular weight of 347.29 g/mol. Its IUPAC name is cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine.

Molecular Properties

Compound Namecobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine
PubChem CID59537034
Molecular FormulaC18H16CoN4
Molecular Weight347.29 g/mol
Exact Mass347.07
IUPAC Namecobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1/N=C(\C)c1ccc[n-]1)c1ccc[n-]1.[Co+2]
InChIInChI=1S/C18H16N4.Co/c1-13(15-9-5-11-19-15)21-17-7-3-4-8-18(17)22-14(2)16-10-6-12-20-16;/h3-12H,1-2H3;/q-2;+2/b21-13+,22-14+;
InChIKeyMXQKPWMJIBTXCL-JKBLJYNNSA-N
XLogP3.88
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-(1-methyl-1H-pyrrol-2-yl)-2,3-dihydro-1H-benzimidazole
CID 789498
2,5-Dimethyl-1-(4-pyrrol-1-ylphenyl)pyrrole
CID 2740986
2,5-Dimethyl-1-(2-pyrrol-1-ylphenyl)pyrrole
CID 134947321
[1,2-Bis(1H-pyrrol-2-ylmethyleneamino)ethane-kappa^4^N]iron(II)
CID 139070385
[N,N'-Bis(pyrrol-2-ylmethylene)cyclohexane-1,2-diaminato-kappa^4^N]nickel(II)
CID 139071886
Bis{2-[(phenylimino)methyl]-1H-pyrrol-1-ido}palladium(II)
CID 139084966
carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)
CID 139242536
bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);propane;titanium(4+)
CID 139242545
Bis{2-[(phenylimino)ethyl]-1H-pyrrol-1-ido-\ kappa^2^N,N'}nickel(II)
CID 168307969
CID 168334707
CID 168334707
Dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)
CID 19089615
2,21-Diaza-8,15-diazoniahexacyclo[13.6.0.01,8.02,6.09,14.017,21]henicosa-3,5,7,9,11,13,15,17,19-nonaene
CID 20784059

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine?
The IUPAC name of cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine (CID 59537034) is cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine.
What is the SMILES notation for cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine?
The canonical SMILES for cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine is C/C(=N\c1ccccc1/N=C(\C)c1ccc[n-]1)c1ccc[n-]1.[Co+2].
What is the InChIKey of cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine?
The InChIKey is MXQKPWMJIBTXCL-JKBLJYNNSA-N. The full InChI is InChI=1S/C18H16N4.Co/c1-13(15-9-5-11-19-15)21-17-7-3-4-8-18(17)22-14(2)16-10-6-12-20-16;/h3-12H,1-2H3;/q-2;+2/b21-13+,22-14+;.
What are the key properties of cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine?
cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine has a molecular weight of 347.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);1-pyrrol-1-id-2-yl-N-[2-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]ethanimine is sourced from PubChem (CID 59537034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).