1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene

C19H20 — CID 22340230

IUPAC1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene
SMILESCC1=C(C2(C3CCC3)C=Cc3ccccc32)CC=C1
InChIInChI=1S/C19H20/c1-14-6-4-11-17(14)19(16-8-5-9-16)13-12-15-7-2-3-10-18(15)19/h2-4,6-7,10,12-13,16H,5,8-9,11H2,1H3
InChIKeyQTJAYSBOYJPZGX-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.03
Rot. Bonds2

About 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene

1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene (PubChem CID 22340230) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene.

Molecular Properties

Compound Name1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene
PubChem CID22340230
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene
SMILESCC1=C(C2(C3CCC3)C=Cc3ccccc32)CC=C1
InChIInChI=1S/C19H20/c1-14-6-4-11-17(14)19(16-8-5-9-16)13-12-15-7-2-3-10-18(15)19/h2-4,6-7,10,12-13,16H,5,8-9,11H2,1H3
InChIKeyQTJAYSBOYJPZGX-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)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 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene?
The IUPAC name of 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene (CID 22340230) is 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene.
What is the SMILES notation for 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene?
The canonical SMILES for 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene is CC1=C(C2(C3CCC3)C=Cc3ccccc32)CC=C1.
What is the InChIKey of 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene?
The InChIKey is QTJAYSBOYJPZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-14-6-4-11-17(14)19(16-8-5-9-16)13-12-15-7-2-3-10-18(15)19/h2-4,6-7,10,12-13,16H,5,8-9,11H2,1H3.
What are the key properties of 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene?
1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene has a molecular weight of 248.37 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(2-methylcyclopenta-1,3-dien-1-yl)indene is sourced from PubChem (CID 22340230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).