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

C10H12 — CID 134860701

IUPAC(1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene
SMILESC1=CC[C@H]2C(=C[C@H]3C[C@H]32)C1
InChIInChI=1S/C10H12/c1-2-4-9-7(3-1)5-8-6-10(8)9/h1-2,5,8-10H,3-4,6H2/t8-,9-,10+/m0/s1
InChIKeyKZHUHSWZHVTNEV-LPEHRKFASA-N
MW132.21 g/mol
LogP2.53
Rot. Bonds

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

(1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene (PubChem CID 134860701) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene.

Molecular Properties

Compound Name(1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene
PubChem CID134860701
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene
SMILESC1=CC[C@H]2C(=C[C@H]3C[C@H]32)C1
InChIInChI=1S/C10H12/c1-2-4-9-7(3-1)5-8-6-10(8)9/h1-2,5,8-10H,3-4,6H2/t8-,9-,10+/m0/s1
InChIKeyKZHUHSWZHVTNEV-LPEHRKFASA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.53
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,2,5,6a-hexahydrocyclopropa[a]indene?
The IUPAC name of (1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene (CID 134860701) is (1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene.
What is the SMILES notation for (1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene?
The canonical SMILES for (1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene is C1=CC[C@H]2C(=C[C@H]3C[C@H]32)C1.
What is the InChIKey of (1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene?
The InChIKey is KZHUHSWZHVTNEV-LPEHRKFASA-N. The full InChI is InChI=1S/C10H12/c1-2-4-9-7(3-1)5-8-6-10(8)9/h1-2,5,8-10H,3-4,6H2/t8-,9-,10+/m0/s1.
What are the key properties of (1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene?
(1aR,1bR,6aS)-1,1a,1b,2,5,6a-hexahydrocyclopropa[a]indene has a molecular weight of 132.21 g/mol, XLogP of 2.53, 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,2,5,6a-hexahydrocyclopropa[a]indene is sourced from PubChem (CID 134860701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).