N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide

C14H18N2 — CID 130472311

IUPACN'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
SMILESC=C/C=C\C(=C/C=C)C(=C\C=C)\N=C(/C)N
InChIInChI=1S/C14H18N2/c1-5-8-11-13(9-6-2)14(10-7-3)16-12(4)15/h5-11H,1-3H2,4H3,(H2,15,16)/b11-8-,13-9+,14-10-
InChIKeyDOKQJYNAJZXYEU-BQUWCNJYSA-N
MW214.31 g/mol
LogP3.29
Rot. Bonds6

About N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide

N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide (PubChem CID 130472311) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
PubChem CID130472311
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
SMILESC=C/C=C\C(=C/C=C)C(=C\C=C)\N=C(/C)N
InChIInChI=1S/C14H18N2/c1-5-8-11-13(9-6-2)14(10-7-3)16-12(4)15/h5-11H,1-3H2,4H3,(H2,15,16)/b11-8-,13-9+,14-10-
InChIKeyDOKQJYNAJZXYEU-BQUWCNJYSA-N
XLogP3.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide?
The IUPAC name of N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide (CID 130472311) is N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide.
What is the SMILES notation for N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide?
The canonical SMILES for N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide is C=C/C=C\C(=C/C=C)C(=C\C=C)\N=C(/C)N.
What is the InChIKey of N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide?
The InChIKey is DOKQJYNAJZXYEU-BQUWCNJYSA-N. The full InChI is InChI=1S/C14H18N2/c1-5-8-11-13(9-6-2)14(10-7-3)16-12(4)15/h5-11H,1-3H2,4H3,(H2,15,16)/b11-8-,13-9+,14-10-.
What are the key properties of N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide?
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide has a molecular weight of 214.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide is sourced from PubChem (CID 130472311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).