2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane

C13H21N — CID 91374545

IUPAC2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane
SMILESC1=CCC2C(=C1)CC1CCCN12.CC
InChIInChI=1S/C11H15N.C2H6/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;1-2/h1-2,4,10-11H,3,5-8H2;1-2H3
InChIKeySVRJORCBFDJQRS-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.14
Rot. Bonds

About 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane

2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane (PubChem CID 91374545) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane.

Molecular Properties

Compound Name2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane
PubChem CID91374545
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane
SMILESC1=CCC2C(=C1)CC1CCCN12.CC
InChIInChI=1S/C11H15N.C2H6/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;1-2/h1-2,4,10-11H,3,5-8H2;1-2H3
InChIKeySVRJORCBFDJQRS-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane?
The IUPAC name of 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane (CID 91374545) is 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane.
What is the SMILES notation for 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane?
The canonical SMILES for 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane is C1=CCC2C(=C1)CC1CCCN12.CC.
What is the InChIKey of 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane?
The InChIKey is SVRJORCBFDJQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;1-2/h1-2,4,10-11H,3,5-8H2;1-2H3.
What are the key properties of 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane?
2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane has a molecular weight of 191.32 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,8,8a-hexahydro-1H-pyrrolo[1,2-a]indole;ethane is sourced from PubChem (CID 91374545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).