(Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene

C16H19ClN2 — CID 178016943

IUPAC(Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene
SMILESC/C=C\C=N\CCc1c[nH]c2ccc(Cl)cc12.C=C
InChIInChI=1S/C14H15ClN2.C2H4/c1-2-3-7-16-8-6-11-10-17-14-5-4-12(15)9-13(11)14;1-2/h2-5,7,9-10,17H,6,8H2,1H3;1-2H2/b3-2-,16-7+;
InChIKeyUDZLDXKULGSGNB-IVBCTVHGSA-N
MW274.80 g/mol
LogP4.81
Rot. Bonds4

About (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene

(Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene (PubChem CID 178016943) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene.

Molecular Properties

Compound Name(Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene
PubChem CID178016943
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name(Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene
SMILESC/C=C\C=N\CCc1c[nH]c2ccc(Cl)cc12.C=C
InChIInChI=1S/C14H15ClN2.C2H4/c1-2-3-7-16-8-6-11-10-17-14-5-4-12(15)9-13(11)14;1-2/h2-5,7,9-10,17H,6,8H2,1H3;1-2H2/b3-2-,16-7+;
InChIKeyUDZLDXKULGSGNB-IVBCTVHGSA-N
XLogP4.81
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
CID 170598946
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
CID 111800596
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene?
The IUPAC name of (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene (CID 178016943) is (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene.
What is the SMILES notation for (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene?
The canonical SMILES for (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene is C/C=C\C=N\CCc1c[nH]c2ccc(Cl)cc12.C=C.
What is the InChIKey of (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene?
The InChIKey is UDZLDXKULGSGNB-IVBCTVHGSA-N. The full InChI is InChI=1S/C14H15ClN2.C2H4/c1-2-3-7-16-8-6-11-10-17-14-5-4-12(15)9-13(11)14;1-2/h2-5,7,9-10,17H,6,8H2,1H3;1-2H2/b3-2-,16-7+;.
What are the key properties of (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene?
(Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene has a molecular weight of 274.80 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene is sourced from PubChem (CID 178016943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).