1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene

C12H12 — CID 134992429

IUPAC1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene
SMILESCC1=CC2c3ccccc3CC12
InChIInChI=1S/C12H12/c1-8-6-12-10-5-3-2-4-9(10)7-11(8)12/h2-6,11-12H,7H2,1H3
InChIKeyPGLDEGHQJCXUCV-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.90
Rot. Bonds

About 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene

1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene (PubChem CID 134992429) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene.

Molecular Properties

Compound Name1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene
PubChem CID134992429
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene
SMILESCC1=CC2c3ccccc3CC12
InChIInChI=1S/C12H12/c1-8-6-12-10-5-3-2-4-9(10)7-11(8)12/h2-6,11-12H,7H2,1H3
InChIKeyPGLDEGHQJCXUCV-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.90
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

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CID 168830969
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
9,9a-dihydro-4aH-fluoren-2-ol
CID 19692110
(4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one
CID 90089768
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
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CID 51899506

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene?
The IUPAC name of 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene (CID 134992429) is 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene.
What is the SMILES notation for 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene?
The canonical SMILES for 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene is CC1=CC2c3ccccc3CC12.
What is the InChIKey of 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene?
The InChIKey is PGLDEGHQJCXUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-8-6-12-10-5-3-2-4-9(10)7-11(8)12/h2-6,11-12H,7H2,1H3.
What are the key properties of 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene?
1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene has a molecular weight of 156.23 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene is sourced from PubChem (CID 134992429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).