(Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine

C12H16N2 — CID 123731239

IUPAC(Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine
SMILESC=C(/N=C/C=C\C)C(=C)/N=C/C=C\C
InChIInChI=1S/C12H16N2/c1-5-7-9-13-11(3)12(4)14-10-8-6-2/h5-10H,3-4H2,1-2H3/b7-5-,8-6-,13-9+,14-10+
InChIKeyDYOSRVSZXDCVGU-HRFZYNDSSA-N
MW188.27 g/mol
LogP3.31
Rot. Bonds5

About (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine

(Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine (PubChem CID 123731239) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine
PubChem CID123731239
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine
SMILESC=C(/N=C/C=C\C)C(=C)/N=C/C=C\C
InChIInChI=1S/C12H16N2/c1-5-7-9-13-11(3)12(4)14-10-8-6-2/h5-10H,3-4H2,1-2H3/b7-5-,8-6-,13-9+,14-10+
InChIKeyDYOSRVSZXDCVGU-HRFZYNDSSA-N
XLogP3.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
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 (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine (CID 123731239) is (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine is C=C(/N=C/C=C\C)C(=C)/N=C/C=C\C.
What is the InChIKey of (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine?
The InChIKey is DYOSRVSZXDCVGU-HRFZYNDSSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-7-9-13-11(3)12(4)14-10-8-6-2/h5-10H,3-4H2,1-2H3/b7-5-,8-6-,13-9+,14-10+.
What are the key properties of (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine?
(Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine has a molecular weight of 188.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[[(Z)-but-2-enylidene]amino]buta-1,3-dien-2-yl]but-2-en-1-imine is sourced from PubChem (CID 123731239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).