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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Related Compounds

5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
CID 105428926
(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine
CID 130681687
8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol
CID 153397190
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
CID 59356705
CID 59356705
(7-methyl-2,3-dihydro-1H-inden-1-yl)-diphenylphosphane
CID 59903549
[(1S)-7-methyl-2,3-dihydro-1H-inden-1-yl]-diphenylphosphane
CID 59903542
8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 105453860
(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol
CID 14944884
(3aS,9bR)-9-methoxy-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 10332035
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383

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).