1-ethenyl-7-methyl-2,3-dihydro-1H-indene

C12H14 — CID 13253200

IUPAC1-ethenyl-7-methyl-2,3-dihydro-1H-indene
SMILESC=CC1CCc2cccc(C)c21
InChIInChI=1S/C12H14/c1-3-10-7-8-11-6-4-5-9(2)12(10)11/h3-6,10H,1,7-8H2,2H3
InChIKeyBEWJFWITHLEMHN-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.21
Rot. Bonds1

About 1-ethenyl-7-methyl-2,3-dihydro-1H-indene

1-ethenyl-7-methyl-2,3-dihydro-1H-indene (PubChem CID 13253200) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-ethenyl-7-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-ethenyl-7-methyl-2,3-dihydro-1H-indene
PubChem CID13253200
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1-ethenyl-7-methyl-2,3-dihydro-1H-indene
SMILESC=CC1CCc2cccc(C)c21
InChIInChI=1S/C12H14/c1-3-10-7-8-11-6-4-5-9(2)12(10)11/h3-6,10H,1,7-8H2,2H3
InChIKeyBEWJFWITHLEMHN-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.21
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 1-ethenyl-7-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-ethenyl-7-methyl-2,3-dihydro-1H-indene (CID 13253200) is 1-ethenyl-7-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-ethenyl-7-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-ethenyl-7-methyl-2,3-dihydro-1H-indene is C=CC1CCc2cccc(C)c21.
What is the InChIKey of 1-ethenyl-7-methyl-2,3-dihydro-1H-indene?
The InChIKey is BEWJFWITHLEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-3-10-7-8-11-6-4-5-9(2)12(10)11/h3-6,10H,1,7-8H2,2H3.
What are the key properties of 1-ethenyl-7-methyl-2,3-dihydro-1H-indene?
1-ethenyl-7-methyl-2,3-dihydro-1H-indene has a molecular weight of 158.24 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-7-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 13253200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).