N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine

C15H17N3 — CID 134369176

IUPACN-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine
SMILESC=C/C=C(\N=C\C=C)c1nc(=C/C)/c(=C\C=C)[nH]1
InChIInChI=1S/C15H17N3/c1-5-9-13-12(8-4)17-15(18-13)14(10-6-2)16-11-7-3/h5-11H,1-3H2,4H3,(H,17,18)/b12-8+,13-9+,14-10-,16-11+
InChIKeyAEEHKRURDUPCKP-ADBQGJCTSA-N
MW239.32 g/mol
LogP1.96
Rot. Bonds5

About N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine

N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine (PubChem CID 134369176) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine
PubChem CID134369176
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine
SMILESC=C/C=C(\N=C\C=C)c1nc(=C/C)/c(=C\C=C)[nH]1
InChIInChI=1S/C15H17N3/c1-5-9-13-12(8-4)17-15(18-13)14(10-6-2)16-11-7-3/h5-11H,1-3H2,4H3,(H,17,18)/b12-8+,13-9+,14-10-,16-11+
InChIKeyAEEHKRURDUPCKP-ADBQGJCTSA-N
XLogP1.96
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine?
The IUPAC name of N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine (CID 134369176) is N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine?
The canonical SMILES for N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine is C=C/C=C(\N=C\C=C)c1nc(=C/C)/c(=C\C=C)[nH]1.
What is the InChIKey of N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine?
The InChIKey is AEEHKRURDUPCKP-ADBQGJCTSA-N. The full InChI is InChI=1S/C15H17N3/c1-5-9-13-12(8-4)17-15(18-13)14(10-6-2)16-11-7-3/h5-11H,1-3H2,4H3,(H,17,18)/b12-8+,13-9+,14-10-,16-11+.
What are the key properties of N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine?
N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine has a molecular weight of 239.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine is sourced from PubChem (CID 134369176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).