1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole

C12H17N — CID 70061290

IUPAC1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole
SMILESCN1CCC2CC3CCC=CC3=C21
InChIInChI=1S/C12H17N/c1-13-7-6-10-8-9-4-2-3-5-11(9)12(10)13/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyYHUMLCRHQHNRJG-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.56
Rot. Bonds

About 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole

1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole (PubChem CID 70061290) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole.

Molecular Properties

Compound Name1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole
PubChem CID70061290
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole
SMILESCN1CCC2CC3CCC=CC3=C21
InChIInChI=1S/C12H17N/c1-13-7-6-10-8-9-4-2-3-5-11(9)12(10)13/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyYHUMLCRHQHNRJG-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole?
The IUPAC name of 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole (CID 70061290) is 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole.
What is the SMILES notation for 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole?
The canonical SMILES for 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole is CN1CCC2CC3CCC=CC3=C21.
What is the InChIKey of 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole?
The InChIKey is YHUMLCRHQHNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-13-7-6-10-8-9-4-2-3-5-11(9)12(10)13/h3,5,9-10H,2,4,6-8H2,1H3.
What are the key properties of 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole?
1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole has a molecular weight of 175.28 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3a,4,4a,5,6-hexahydro-2H-indeno[1,2-b]pyrrole is sourced from PubChem (CID 70061290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).