1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole

C13H23N — CID 18684734

IUPAC1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole
SMILESCC1CC2CC3CCCCC3C2N1C
InChIInChI=1S/C13H23N/c1-9-7-11-8-10-5-3-4-6-12(10)13(11)14(9)2/h9-13H,3-8H2,1-2H3
InChIKeyPQYTYPCWTXIXBO-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.91
Rot. Bonds

About 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole

1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole (PubChem CID 18684734) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole.

Molecular Properties

Compound Name1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole
PubChem CID18684734
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole
SMILESCC1CC2CC3CCCCC3C2N1C
InChIInChI=1S/C13H23N/c1-9-7-11-8-10-5-3-4-6-12(10)13(11)14(9)2/h9-13H,3-8H2,1-2H3
InChIKeyPQYTYPCWTXIXBO-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole?
The IUPAC name of 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole (CID 18684734) is 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole.
What is the SMILES notation for 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole?
The canonical SMILES for 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole is CC1CC2CC3CCCCC3C2N1C.
What is the InChIKey of 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole?
The InChIKey is PQYTYPCWTXIXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9-7-11-8-10-5-3-4-6-12(10)13(11)14(9)2/h9-13H,3-8H2,1-2H3.
What are the key properties of 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole?
1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole has a molecular weight of 193.33 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole is sourced from PubChem (CID 18684734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).