2-ethyl-4-prop-2-enyl-1H-indene

C14H16 — CID 173192887

IUPAC2-ethyl-4-prop-2-enyl-1H-indene
SMILESC=CCc1cccc2c1C=C(CC)C2
InChIInChI=1S/C14H16/c1-3-6-12-7-5-8-13-9-11(4-2)10-14(12)13/h3,5,7-8,10H,1,4,6,9H2,2H3
InChIKeyIFHKJZPUULWBAK-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.76
Rot. Bonds3

About 2-ethyl-4-prop-2-enyl-1H-indene

2-ethyl-4-prop-2-enyl-1H-indene (PubChem CID 173192887) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-4-prop-2-enyl-1H-indene.

Molecular Properties

Compound Name2-ethyl-4-prop-2-enyl-1H-indene
PubChem CID173192887
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name2-ethyl-4-prop-2-enyl-1H-indene
SMILESC=CCc1cccc2c1C=C(CC)C2
InChIInChI=1S/C14H16/c1-3-6-12-7-5-8-13-9-11(4-2)10-14(12)13/h3,5,7-8,10H,1,4,6,9H2,2H3
InChIKeyIFHKJZPUULWBAK-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-prop-2-enyl-1H-indene?
The IUPAC name of 2-ethyl-4-prop-2-enyl-1H-indene (CID 173192887) is 2-ethyl-4-prop-2-enyl-1H-indene.
What is the SMILES notation for 2-ethyl-4-prop-2-enyl-1H-indene?
The canonical SMILES for 2-ethyl-4-prop-2-enyl-1H-indene is C=CCc1cccc2c1C=C(CC)C2.
What is the InChIKey of 2-ethyl-4-prop-2-enyl-1H-indene?
The InChIKey is IFHKJZPUULWBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-3-6-12-7-5-8-13-9-11(4-2)10-14(12)13/h3,5,7-8,10H,1,4,6,9H2,2H3.
What are the key properties of 2-ethyl-4-prop-2-enyl-1H-indene?
2-ethyl-4-prop-2-enyl-1H-indene has a molecular weight of 184.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-prop-2-enyl-1H-indene is sourced from PubChem (CID 173192887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).