(1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene

C10H14 — CID 134860670

IUPAC(1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene
SMILESC1=C2CCCC[C@@H]2[C@@H]2C[C@H]12
InChIInChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h5,8-10H,1-4,6H2/t8-,9-,10+/m0/s1
InChIKeyGNPHUGRZOFJWSC-LPEHRKFASA-N
MW134.22 g/mol
LogP2.75
Rot. Bonds

About (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene

(1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene (PubChem CID 134860670) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene.

Molecular Properties

Compound Name(1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene
PubChem CID134860670
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene
SMILESC1=C2CCCC[C@@H]2[C@@H]2C[C@H]12
InChIInChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h5,8-10H,1-4,6H2/t8-,9-,10+/m0/s1
InChIKeyGNPHUGRZOFJWSC-LPEHRKFASA-N
XLogP2.75
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 ≤ 52.75
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 (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene?
The IUPAC name of (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene (CID 134860670) is (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene.
What is the SMILES notation for (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene?
The canonical SMILES for (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene is C1=C2CCCC[C@@H]2[C@@H]2C[C@H]12.
What is the InChIKey of (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene?
The InChIKey is GNPHUGRZOFJWSC-LPEHRKFASA-N. The full InChI is InChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h5,8-10H,1-4,6H2/t8-,9-,10+/m0/s1.
What are the key properties of (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene?
(1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene has a molecular weight of 134.22 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,1bR,6aS)-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene is sourced from PubChem (CID 134860670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).