(4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine

C18H23N3 — CID 170121296

IUPAC(4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine
SMILESC=C/C(=N\C=C/C)C(=C)N=C(/C=C\C)C(=C)/N=C/C=C\C
InChIInChI=1S/C18H23N3/c1-7-11-14-19-15(5)18(12-8-2)21-16(6)17(10-4)20-13-9-3/h7-14H,4-6H2,1-3H3/b11-7-,12-8-,13-9-,19-14+,20-17+,21-18-
InChIKeyPVFCSVWJTBMTRX-ZFPDPOAPSA-N
MW281.40 g/mol
LogP4.84
Rot. Bonds8

About (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine

(4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine (PubChem CID 170121296) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine.

Molecular Properties

Compound Name(4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine
PubChem CID170121296
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name(4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine
SMILESC=C/C(=N\C=C/C)C(=C)N=C(/C=C\C)C(=C)/N=C/C=C\C
InChIInChI=1S/C18H23N3/c1-7-11-14-19-15(5)18(12-8-2)21-16(6)17(10-4)20-13-9-3/h7-14H,4-6H2,1-3H3/b11-7-,12-8-,13-9-,19-14+,20-17+,21-18-
InChIKeyPVFCSVWJTBMTRX-ZFPDPOAPSA-N
XLogP4.84
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine?
The IUPAC name of (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine (CID 170121296) is (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine.
What is the SMILES notation for (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine?
The canonical SMILES for (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine is C=C/C(=N\C=C/C)C(=C)N=C(/C=C\C)C(=C)/N=C/C=C\C.
What is the InChIKey of (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine?
The InChIKey is PVFCSVWJTBMTRX-ZFPDPOAPSA-N. The full InChI is InChI=1S/C18H23N3/c1-7-11-14-19-15(5)18(12-8-2)21-16(6)17(10-4)20-13-9-3/h7-14H,4-6H2,1-3H3/b11-7-,12-8-,13-9-,19-14+,20-17+,21-18-.
What are the key properties of (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine?
(4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine has a molecular weight of 281.40 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine is sourced from PubChem (CID 170121296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).