(7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine

C19H25N3 — CID 134474679

IUPAC(7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine
SMILESC=C1C(=C2CCN(C)CC2)c2nccn2CC/C1=C/C=C\C
InChIInChI=1S/C19H25N3/c1-4-5-6-16-9-13-22-14-10-20-19(22)18(15(16)2)17-7-11-21(3)12-8-17/h4-6,10,14H,2,7-9,11-13H2,1,3H3/b5-4-,16-6-
InChIKeyYKOIYWOWNBPIHQ-JARGQTFRSA-N
MW295.43 g/mol
LogP3.82
Rot. Bonds1

About (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine

(7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine (PubChem CID 134474679) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine.

Molecular Properties

Compound Name(7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine
PubChem CID134474679
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name(7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine
SMILESC=C1C(=C2CCN(C)CC2)c2nccn2CC/C1=C/C=C\C
InChIInChI=1S/C19H25N3/c1-4-5-6-16-9-13-22-14-10-20-19(22)18(15(16)2)17-7-11-21(3)12-8-17/h4-6,10,14H,2,7-9,11-13H2,1,3H3/b5-4-,16-6-
InChIKeyYKOIYWOWNBPIHQ-JARGQTFRSA-N
XLogP3.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine?
The IUPAC name of (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine (CID 134474679) is (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine.
What is the SMILES notation for (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine?
The canonical SMILES for (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine is C=C1C(=C2CCN(C)CC2)c2nccn2CC/C1=C/C=C\C.
What is the InChIKey of (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine?
The InChIKey is YKOIYWOWNBPIHQ-JARGQTFRSA-N. The full InChI is InChI=1S/C19H25N3/c1-4-5-6-16-9-13-22-14-10-20-19(22)18(15(16)2)17-7-11-21(3)12-8-17/h4-6,10,14H,2,7-9,11-13H2,1,3H3/b5-4-,16-6-.
What are the key properties of (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine?
(7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine has a molecular weight of 295.43 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-[(Z)-but-2-enylidene]-8-methylidene-9-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[1,2-a]azepine is sourced from PubChem (CID 134474679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).