1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane

C15H25N — CID 91398120

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane
SMILESCC.c1ccn(C2CC3CCCCC3C2)c1
InChIInChI=1S/C13H19N.C2H6/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;1-2/h3-4,7-8,11-13H,1-2,5-6,9-10H2;1-2H3
InChIKeyFTVSHTPVHBSLCF-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.66
Rot. Bonds1

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane (PubChem CID 91398120) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane
PubChem CID91398120
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane
SMILESCC.c1ccn(C2CC3CCCCC3C2)c1
InChIInChI=1S/C13H19N.C2H6/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;1-2/h3-4,7-8,11-13H,1-2,5-6,9-10H2;1-2H3
InChIKeyFTVSHTPVHBSLCF-UHFFFAOYSA-N
XLogP4.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane (CID 91398120) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane is CC.c1ccn(C2CC3CCCCC3C2)c1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane?
The InChIKey is FTVSHTPVHBSLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;1-2/h3-4,7-8,11-13H,1-2,5-6,9-10H2;1-2H3.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane has a molecular weight of 219.37 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane is sourced from PubChem (CID 91398120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).