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

C13H23N — CID 18684732

IUPAC2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole
SMILESCC1CC2C3CCCCC3CC2N1C
InChIInChI=1S/C13H23N/c1-9-7-12-11-6-4-3-5-10(11)8-13(12)14(9)2/h9-13H,3-8H2,1-2H3
InChIKeyXFCQOTBNGLKUBZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.91
Rot. Bonds

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

2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole (PubChem CID 18684732) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole.

Molecular Properties

Compound Name2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole
PubChem CID18684732
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole
SMILESCC1CC2C3CCCCC3CC2N1C
InChIInChI=1S/C13H23N/c1-9-7-12-11-6-4-3-5-10(11)8-13(12)14(9)2/h9-13H,3-8H2,1-2H3
InChIKeyXFCQOTBNGLKUBZ-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 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole?
The IUPAC name of 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole (CID 18684732) is 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole.
What is the SMILES notation for 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole?
The canonical SMILES for 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole is CC1CC2C3CCCCC3CC2N1C.
What is the InChIKey of 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole?
The InChIKey is XFCQOTBNGLKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9-7-12-11-6-4-3-5-10(11)8-13(12)14(9)2/h9-13H,3-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole?
2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-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 2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole is sourced from PubChem (CID 18684732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).