(2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene

C16H18 — CID 144613461

IUPAC(2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene
SMILESC=C/C(C)=C1\C(=C)c2ccccc2C1CC
InChIInChI=1S/C16H18/c1-5-11(3)16-12(4)14-9-7-8-10-15(14)13(16)6-2/h5,7-10,13H,1,4,6H2,2-3H3/b16-11+
InChIKeyKZXRHDQEEIMELV-LFIBNONCSA-N
MW210.32 g/mol
LogP4.71
Rot. Bonds2

About (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene

(2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene (PubChem CID 144613461) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene.

Molecular Properties

Compound Name(2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene
PubChem CID144613461
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name(2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene
SMILESC=C/C(C)=C1\C(=C)c2ccccc2C1CC
InChIInChI=1S/C16H18/c1-5-11(3)16-12(4)14-9-7-8-10-15(14)13(16)6-2/h5,7-10,13H,1,4,6H2,2-3H3/b16-11+
InChIKeyKZXRHDQEEIMELV-LFIBNONCSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene 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 (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene?
The IUPAC name of (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene (CID 144613461) is (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene.
What is the SMILES notation for (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene?
The canonical SMILES for (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene is C=C/C(C)=C1\C(=C)c2ccccc2C1CC.
What is the InChIKey of (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene?
The InChIKey is KZXRHDQEEIMELV-LFIBNONCSA-N. The full InChI is InChI=1S/C16H18/c1-5-11(3)16-12(4)14-9-7-8-10-15(14)13(16)6-2/h5,7-10,13H,1,4,6H2,2-3H3/b16-11+.
What are the key properties of (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene?
(2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene has a molecular weight of 210.32 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-but-3-en-2-ylidene-1-ethyl-3-methylidene-1H-indene is sourced from PubChem (CID 144613461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).