(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine

C17H21N — CID 143892145

IUPAC(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine
SMILESC=CC1=C(/C=C\C)N(C)/C(=C/C=C\C)C(=C)C=C1
InChIInChI=1S/C17H21N/c1-6-9-11-16-14(4)12-13-15(8-3)17(10-7-2)18(16)5/h6-13H,3-4H2,1-2,5H3/b9-6-,10-7-,16-11+
InChIKeyZWUHIVPXLPBKHC-KNPWNXAJSA-N
MW239.36 g/mol
LogP4.52
Rot. Bonds3

About (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine

(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine (PubChem CID 143892145) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine
PubChem CID143892145
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine
SMILESC=CC1=C(/C=C\C)N(C)/C(=C/C=C\C)C(=C)C=C1
InChIInChI=1S/C17H21N/c1-6-9-11-16-14(4)12-13-15(8-3)17(10-7-2)18(16)5/h6-13H,3-4H2,1-2,5H3/b9-6-,10-7-,16-11+
InChIKeyZWUHIVPXLPBKHC-KNPWNXAJSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 174326302
(5E,6E)-2-ethenyl-5-ethylidene-1,4-diphenyl-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenepyrazine
CID 142288113
(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane
CID 145336020
3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran
CID 143340610
(5E)-5-[(Z)-but-2-enylidene]-2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]cyclohex-2-ene-1,4-dione;ethane
CID 144875528
3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-7H-cyclohepta[b][1,4]oxazine
CID 145345693
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium
CID 143136443
2-ethenyl-1,4-diphenyl-3-[(Z)-prop-1-enyl]quinoxaline
CID 142288460
(2E)-2-[(Z)-but-2-enylidene]-3,3-dimethyl-4-[(Z)-prop-1-enyl]-1-propylpyrrole
CID 118543222
2-but-2-enylidene-4-methyl-3-methylidenefuran
CID 123322434
ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine
CID 143757893
CID 163877214
CID 163877214

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine (CID 143892145) is (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine is C=CC1=C(/C=C\C)N(C)/C(=C/C=C\C)C(=C)C=C1.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine?
The InChIKey is ZWUHIVPXLPBKHC-KNPWNXAJSA-N. The full InChI is InChI=1S/C17H21N/c1-6-9-11-16-14(4)12-13-15(8-3)17(10-7-2)18(16)5/h6-13H,3-4H2,1-2,5H3/b9-6-,10-7-,16-11+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine?
(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine has a molecular weight of 239.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine is sourced from PubChem (CID 143892145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).