(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine

C13H16N2 — CID 167281745

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine
SMILESC=c1/c(=C\C=C/C)c2c(n1N)C=CCC2
InChIInChI=1S/C13H16N2/c1-3-4-7-11-10(2)15(14)13-9-6-5-8-12(11)13/h3-4,6-7,9H,2,5,8,14H2,1H3/b4-3-,11-7+
InChIKeyJOULPFRFRWILQF-CCBPTBINSA-N
MW200.28 g/mol
LogP0.93
Rot. Bonds1

About (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine

(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine (PubChem CID 167281745) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine
PubChem CID167281745
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine
SMILESC=c1/c(=C\C=C/C)c2c(n1N)C=CCC2
InChIInChI=1S/C13H16N2/c1-3-4-7-11-10(2)15(14)13-9-6-5-8-12(11)13/h3-4,6-7,9H,2,5,8,14H2,1H3/b4-3-,11-7+
InChIKeyJOULPFRFRWILQF-CCBPTBINSA-N
XLogP0.93
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine (CID 167281745) is (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine is C=c1/c(=C\C=C/C)c2c(n1N)C=CCC2.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine?
The InChIKey is JOULPFRFRWILQF-CCBPTBINSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-4-7-11-10(2)15(14)13-9-6-5-8-12(11)13/h3-4,6-7,9H,2,5,8,14H2,1H3/b4-3-,11-7+.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine?
(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine has a molecular weight of 200.28 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine is sourced from PubChem (CID 167281745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).