2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene

C12H13Cl — CID 173358036

IUPAC2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene
SMILESC=CCc1cccc2c1CC(Cl)C2
InChIInChI=1S/C12H13Cl/c1-2-4-9-5-3-6-10-7-11(13)8-12(9)10/h2-3,5-6,11H,1,4,7-8H2
InChIKeyAMINIQVABVAMQG-UHFFFAOYSA-N
MW192.69 g/mol
LogP3.12
Rot. Bonds2

About 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene

2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene (PubChem CID 173358036) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene
PubChem CID173358036
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene
SMILESC=CCc1cccc2c1CC(Cl)C2
InChIInChI=1S/C12H13Cl/c1-2-4-9-5-3-6-10-7-11(13)8-12(9)10/h2-3,5-6,11H,1,4,7-8H2
InChIKeyAMINIQVABVAMQG-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-4-prop-2-enyl-2,3-dihydro-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 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene?
The IUPAC name of 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene (CID 173358036) is 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene?
The canonical SMILES for 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene is C=CCc1cccc2c1CC(Cl)C2.
What is the InChIKey of 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene?
The InChIKey is AMINIQVABVAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl/c1-2-4-9-5-3-6-10-7-11(13)8-12(9)10/h2-3,5-6,11H,1,4,7-8H2.
What are the key properties of 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene?
2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene has a molecular weight of 192.69 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-prop-2-enyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 173358036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).