(E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride

C17H26ClN — CID 155728858

IUPAC(E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride
SMILESC/C=C\C=C(C(\Cl)=N\C=C\CCC)/C(C)=C/CCC
InChIInChI=1S/C17H26ClN/c1-5-8-11-14-19-17(18)16(13-10-7-3)15(4)12-9-6-2/h7,10-14H,5-6,8-9H2,1-4H3/b10-7-,14-11+,15-12+,16-13+,19-17-
InChIKeyLLEACVCTSPWTFR-MSGKCQHLSA-N
MW279.85 g/mol
LogP6.19
Rot. Bonds8

About (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride

(E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride (PubChem CID 155728858) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride.

Molecular Properties

Compound Name(E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride
PubChem CID155728858
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name(E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride
SMILESC/C=C\C=C(C(\Cl)=N\C=C\CCC)/C(C)=C/CCC
InChIInChI=1S/C17H26ClN/c1-5-8-11-14-19-17(18)16(13-10-7-3)15(4)12-9-6-2/h7,10-14H,5-6,8-9H2,1-4H3/b10-7-,14-11+,15-12+,16-13+,19-17-
InChIKeyLLEACVCTSPWTFR-MSGKCQHLSA-N
XLogP6.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.85
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine
CID 145414439
(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 145143816
2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
1-Chloro-6,7-dihydroisoquinoline
CID 123525909
3-Chloro-4-ethylidene-5-methylidenepyridine
CID 123707183
2-chloro-6-ethyl-3H-azepine
CID 123959817
5-ethenyl-N,4-dimethyl-2-methylidenehepta-4,6-dienimidoyl chloride
CID 132223270
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
CID 132264479
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245102
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride;ethane
CID 142934741
(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane
CID 143344511
ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
CID 143401352

Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride?
The IUPAC name of (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride (CID 155728858) is (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride.
What is the SMILES notation for (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride?
The canonical SMILES for (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride is C/C=C\C=C(C(\Cl)=N\C=C\CCC)/C(C)=C/CCC.
What is the InChIKey of (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride?
The InChIKey is LLEACVCTSPWTFR-MSGKCQHLSA-N. The full InChI is InChI=1S/C17H26ClN/c1-5-8-11-14-19-17(18)16(13-10-7-3)15(4)12-9-6-2/h7,10-14H,5-6,8-9H2,1-4H3/b10-7-,14-11+,15-12+,16-13+,19-17-.
What are the key properties of (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride?
(E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride has a molecular weight of 279.85 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride is sourced from PubChem (CID 155728858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).