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

C10H14 — CID 123206305

IUPAC1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene
SMILESC1CC2=C3CC3CCC2C1
InChIInChI=1S/C10H14/c1-2-7-4-5-8-6-10(8)9(7)3-1/h7-8H,1-6H2
InChIKeyBMZVAYAXIVWTHH-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.90
Rot. Bonds

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

1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene (PubChem CID 123206305) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene.

Molecular Properties

Compound Name1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene
PubChem CID123206305
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene
SMILESC1CC2=C3CC3CCC2C1
InChIInChI=1S/C10H14/c1-2-7-4-5-8-6-10(8)9(7)3-1/h7-8H,1-6H2
InChIKeyBMZVAYAXIVWTHH-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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Frequently Asked Questions

What is the IUPAC name of 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene?
The IUPAC name of 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene (CID 123206305) is 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene.
What is the SMILES notation for 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene?
The canonical SMILES for 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene is C1CC2=C3CC3CCC2C1.
What is the InChIKey of 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene?
The InChIKey is BMZVAYAXIVWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-7-4-5-8-6-10(8)9(7)3-1/h7-8H,1-6H2.
What are the key properties of 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene?
1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]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 1,1a,2,3,3a,4,5,6-octahydrocyclopropa[e]indene is sourced from PubChem (CID 123206305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).