1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole

C11H15N — CID 144947823

IUPAC1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole
SMILESCCN1CCC2=CC3CC3C=C21
InChIInChI=1S/C11H15N/c1-2-12-4-3-8-5-9-6-10(9)7-11(8)12/h5,7,9-10H,2-4,6H2,1H3
InChIKeyFRQDXHFJZBUZLK-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.17
Rot. Bonds1

About 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole

1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole (PubChem CID 144947823) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole.

Molecular Properties

Compound Name1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole
PubChem CID144947823
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole
SMILESCCN1CCC2=CC3CC3C=C21
InChIInChI=1S/C11H15N/c1-2-12-4-3-8-5-9-6-10(9)7-11(8)12/h5,7,9-10H,2-4,6H2,1H3
InChIKeyFRQDXHFJZBUZLK-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole?
The IUPAC name of 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole (CID 144947823) is 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole.
What is the SMILES notation for 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole?
The canonical SMILES for 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole is CCN1CCC2=CC3CC3C=C21.
What is the InChIKey of 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole?
The InChIKey is FRQDXHFJZBUZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-12-4-3-8-5-9-6-10(9)7-11(8)12/h5,7,9-10H,2-4,6H2,1H3.
What are the key properties of 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole?
1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole has a molecular weight of 161.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4a,5,5a-tetrahydro-2H-cyclopropa[f]indole is sourced from PubChem (CID 144947823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).