N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine

C13H16N2 — CID 130275184

IUPACN-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine
SMILESC=CC1=C(/N=C/C)C(/N=C/C)=C(C=C)C1
InChIInChI=1S/C13H16N2/c1-5-10-9-11(6-2)13(15-8-4)12(10)14-7-3/h5-8H,1-2,9H2,3-4H3/b14-7+,15-8+
InChIKeyQQYNOYDKXVKYLX-IROCBMIISA-N
MW200.28 g/mol
LogP3.45
Rot. Bonds4

About N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine

N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine (PubChem CID 130275184) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine.

Molecular Properties

Compound NameN-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine
PubChem CID130275184
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine
SMILESC=CC1=C(/N=C/C)C(/N=C/C)=C(C=C)C1
InChIInChI=1S/C13H16N2/c1-5-10-9-11(6-2)13(15-8-4)12(10)14-7-3/h5-8H,1-2,9H2,3-4H3/b14-7+,15-8+
InChIKeyQQYNOYDKXVKYLX-IROCBMIISA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine?
The IUPAC name of N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine (CID 130275184) is N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine.
What is the SMILES notation for N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine?
The canonical SMILES for N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine is C=CC1=C(/N=C/C)C(/N=C/C)=C(C=C)C1.
What is the InChIKey of N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine?
The InChIKey is QQYNOYDKXVKYLX-IROCBMIISA-N. The full InChI is InChI=1S/C13H16N2/c1-5-10-9-11(6-2)13(15-8-4)12(10)14-7-3/h5-8H,1-2,9H2,3-4H3/b14-7+,15-8+.
What are the key properties of N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine?
N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine has a molecular weight of 200.28 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(ethenyl)-5-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethanimine is sourced from PubChem (CID 130275184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).