ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine

C11H20N2 — CID 176926196

IUPACethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC.CCN1CC2=C(CCN=C2)C1
InChIInChI=1S/C9H14N2.C2H6/c1-2-11-6-8-3-4-10-5-9(8)7-11;1-2/h5H,2-4,6-7H2,1H3;1-2H3
InChIKeyVAXIXXYHGRPZKK-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.12
Rot. Bonds1

About ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine

ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 176926196) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Nameethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID176926196
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Nameethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC.CCN1CC2=C(CCN=C2)C1
InChIInChI=1S/C9H14N2.C2H6/c1-2-11-6-8-3-4-10-5-9(8)7-11;1-2/h5H,2-4,6-7H2,1H3;1-2H3
InChIKeyVAXIXXYHGRPZKK-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine (CID 176926196) is ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine is CC.CCN1CC2=C(CCN=C2)C1.
What is the InChIKey of ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is VAXIXXYHGRPZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-2-11-6-8-3-4-10-5-9(8)7-11;1-2/h5H,2-4,6-7H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine?
ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine has a molecular weight of 180.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1,3,6,7-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 176926196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).