2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine

C14H13ClN2 — CID 137083857

IUPAC2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(C)/N=C(\C(=C)Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13ClN2/c1-9(2)17-14(10(3)15)12-8-16-13-7-5-4-6-11(12)13/h4-8,16H,1,3H2,2H3/b17-14+
InChIKeyAODXOOLEXDBVSN-SAPNQHFASA-N
MW244.72 g/mol
LogP4.24
Rot. Bonds3

About 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine

2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 137083857) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID137083857
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(C)/N=C(\C(=C)Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13ClN2/c1-9(2)17-14(10(3)15)12-8-16-13-7-5-4-6-11(12)13/h4-8,16H,1,3H2,2H3/b17-14+
InChIKeyAODXOOLEXDBVSN-SAPNQHFASA-N
XLogP4.24
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
N'-[(1E)-2-chloro-3-(1H-indol-3-yl)buta-1,3-dienyl]ethanimidamide
CID 134556390
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
(E)-1,3-bis(1H-indol-3-yl)-N-methylbut-2-en-1-imine
CID 142337439
2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline
CID 163531728
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
N-oxo-1H-indole-3-carboxamide
CID 88522766
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
(2E)-2-[(ethylideneamino)methylidene]-1-(1H-indol-3-yl)but-3-en-1-one
CID 146232196
(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine
CID 135449264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine (CID 137083857) is 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(C)/N=C(\C(=C)Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is AODXOOLEXDBVSN-SAPNQHFASA-N. The full InChI is InChI=1S/C14H13ClN2/c1-9(2)17-14(10(3)15)12-8-16-13-7-5-4-6-11(12)13/h4-8,16H,1,3H2,2H3/b17-14+.
What are the key properties of 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine?
2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine has a molecular weight of 244.72 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 137083857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).