1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene

C10H14 — CID 147975806

IUPAC1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene
SMILESC1CCC2CC3CC3=C2C1
InChIInChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h7-8H,1-6H2
InChIKeyISGAYVAMLGOFIL-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.90
Rot. Bonds

About 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene

1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene (PubChem CID 147975806) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene.

Molecular Properties

Compound Name1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene
PubChem CID147975806
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene
SMILESC1CCC2CC3CC3=C2C1
InChIInChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h7-8H,1-6H2
InChIKeyISGAYVAMLGOFIL-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
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

Decahydrofluorene
CID 14009268
Tetrahydromethanoindane
CID 20258143
Decahydrocyclopenta[a]naphthalene
CID 171975338
Cyclohexane, 1,1'-(cyclopropylidenemethylene)bis-
CID 11160297
(1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene
CID 134860670
(1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene
CID 134860701
Tricyclo[3.2.2.02,4]nonene
CID 153092329
(5aR)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
CID 18640208
(5aR)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
CID 18640210
(5aS)-6-methyl-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
CID 18640211
(5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
CID 18640213
3-Methyl-2-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 20259158

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene?
The IUPAC name of 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene (CID 147975806) is 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene.
What is the SMILES notation for 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene?
The canonical SMILES for 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene is C1CCC2CC3CC3=C2C1.
What is the InChIKey of 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene?
The InChIKey is ISGAYVAMLGOFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h7-8H,1-6H2.
What are the key properties of 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene?
1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene has a molecular weight of 134.22 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 1,2,3,4,5,5a,6,6a-octahydrocyclopropa[a]indene is sourced from PubChem (CID 147975806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).