3,3a-dihydro-2H-cyclopropa[c]indole

C9H9N — CID 123640260

IUPAC3,3a-dihydro-2H-cyclopropa[c]indole
SMILESC1=CC2NCC3=CC32C=C1
InChIInChI=1S/C9H9N/c1-2-4-9-5-7(9)6-10-8(9)3-1/h1-5,8,10H,6H2
InChIKeyVOBFEAJOPBAZCQ-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.01
Rot. Bonds

About 3,3a-dihydro-2H-cyclopropa[c]indole

3,3a-dihydro-2H-cyclopropa[c]indole (PubChem CID 123640260) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 3,3a-dihydro-2H-cyclopropa[c]indole.

Molecular Properties

Compound Name3,3a-dihydro-2H-cyclopropa[c]indole
PubChem CID123640260
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name3,3a-dihydro-2H-cyclopropa[c]indole
SMILESC1=CC2NCC3=CC32C=C1
InChIInChI=1S/C9H9N/c1-2-4-9-5-7(9)6-10-8(9)3-1/h1-5,8,10H,6H2
InChIKeyVOBFEAJOPBAZCQ-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-dihydro-2H-cyclopropa[c]indole?
The IUPAC name of 3,3a-dihydro-2H-cyclopropa[c]indole (CID 123640260) is 3,3a-dihydro-2H-cyclopropa[c]indole.
What is the SMILES notation for 3,3a-dihydro-2H-cyclopropa[c]indole?
The canonical SMILES for 3,3a-dihydro-2H-cyclopropa[c]indole is C1=CC2NCC3=CC32C=C1.
What is the InChIKey of 3,3a-dihydro-2H-cyclopropa[c]indole?
The InChIKey is VOBFEAJOPBAZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-4-9-5-7(9)6-10-8(9)3-1/h1-5,8,10H,6H2.
What are the key properties of 3,3a-dihydro-2H-cyclopropa[c]indole?
3,3a-dihydro-2H-cyclopropa[c]indole has a molecular weight of 131.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydro-2H-cyclopropa[c]indole is sourced from PubChem (CID 123640260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).