3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene

C10H12 — CID 145030062

IUPAC3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene
SMILESC1=CCC23CC2=CCC3C1
InChIInChI=1S/C10H12/c1-2-6-10-7-9(10)5-4-8(10)3-1/h1-2,5,8H,3-4,6-7H2
InChIKeyPQESRZBGDAHPRD-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.67
Rot. Bonds

About 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene

3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene (PubChem CID 145030062) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene.

Molecular Properties

Compound Name3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene
PubChem CID145030062
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene
SMILESC1=CCC23CC2=CCC3C1
InChIInChI=1S/C10H12/c1-2-6-10-7-9(10)5-4-8(10)3-1/h1-2,5,8H,3-4,6-7H2
InChIKeyPQESRZBGDAHPRD-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene?
The IUPAC name of 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene (CID 145030062) is 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene.
What is the SMILES notation for 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene?
The canonical SMILES for 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene is C1=CCC23CC2=CCC3C1.
What is the InChIKey of 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene?
The InChIKey is PQESRZBGDAHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-2-6-10-7-9(10)5-4-8(10)3-1/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene?
3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene has a molecular weight of 132.21 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,7-tetrahydro-1H-cyclopropa[i]indene is sourced from PubChem (CID 145030062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).