1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane

C11H17N — CID 142365221

IUPAC1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane
SMILESC1=C2CCNC2=CC2CC12.CC
InChIInChI=1S/C9H11N.C2H6/c1-2-10-9-5-8-4-7(8)3-6(1)9;1-2/h3,5,7-8,10H,1-2,4H2;1-2H3
InChIKeyJXFDRJLFMVCMMP-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.47
Rot. Bonds

About 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane

1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane (PubChem CID 142365221) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane.

Molecular Properties

Compound Name1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane
PubChem CID142365221
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane
SMILESC1=C2CCNC2=CC2CC12.CC
InChIInChI=1S/C9H11N.C2H6/c1-2-10-9-5-8-4-7(8)3-6(1)9;1-2/h3,5,7-8,10H,1-2,4H2;1-2H3
InChIKeyJXFDRJLFMVCMMP-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane?
The IUPAC name of 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane (CID 142365221) is 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane.
What is the SMILES notation for 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane?
The canonical SMILES for 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane is C1=C2CCNC2=CC2CC12.CC.
What is the InChIKey of 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane?
The InChIKey is JXFDRJLFMVCMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-2-10-9-5-8-4-7(8)3-6(1)9;1-2/h3,5,7-8,10H,1-2,4H2;1-2H3.
What are the key properties of 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane?
1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane has a molecular weight of 163.26 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4a,5,5a-hexahydrocyclopropa[f]indole;ethane is sourced from PubChem (CID 142365221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).