1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene

C14H13Cl — CID 145284483

IUPAC1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
SMILESC=CC1=C(/C=C\C)c2ccccc2C1Cl
InChIInChI=1S/C14H13Cl/c1-3-7-11-10(4-2)14(15)13-9-6-5-8-12(11)13/h3-9,14H,2H2,1H3/b7-3-
InChIKeySOFROZSBRJVBGC-CLTKARDFSA-N
MW216.71 g/mol
LogP4.50
Rot. Bonds2

About 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene

1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene (PubChem CID 145284483) has the molecular formula C14H13Cl and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene.

Molecular Properties

Compound Name1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
PubChem CID145284483
Molecular FormulaC14H13Cl
Molecular Weight216.71 g/mol
Exact Mass216.07
IUPAC Name1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
SMILESC=CC1=C(/C=C\C)c2ccccc2C1Cl
InChIInChI=1S/C14H13Cl/c1-3-7-11-10(4-2)14(15)13-9-6-5-8-12(11)13/h3-9,14H,2H2,1H3/b7-3-
InChIKeySOFROZSBRJVBGC-CLTKARDFSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene?
The IUPAC name of 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene (CID 145284483) is 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene.
What is the SMILES notation for 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene?
The canonical SMILES for 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene is C=CC1=C(/C=C\C)c2ccccc2C1Cl.
What is the InChIKey of 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene?
The InChIKey is SOFROZSBRJVBGC-CLTKARDFSA-N. The full InChI is InChI=1S/C14H13Cl/c1-3-7-11-10(4-2)14(15)13-9-6-5-8-12(11)13/h3-9,14H,2H2,1H3/b7-3-.
What are the key properties of 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene?
1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene has a molecular weight of 216.71 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene is sourced from PubChem (CID 145284483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).