2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline

C11H14N2 — CID 70485609

IUPAC2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline
SMILESC1=CC2=C3NCCC3CCC2N=C1
InChIInChI=1S/C11H14N2/c1-2-9-10(12-6-1)4-3-8-5-7-13-11(8)9/h1-2,6,8,10,13H,3-5,7H2
InChIKeyWZLUFAVWAZKFAI-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.65
Rot. Bonds

About 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline

2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline (PubChem CID 70485609) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline.

Molecular Properties

Compound Name2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline
PubChem CID70485609
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline
SMILESC1=CC2=C3NCCC3CCC2N=C1
InChIInChI=1S/C11H14N2/c1-2-9-10(12-6-1)4-3-8-5-7-13-11(8)9/h1-2,6,8,10,13H,3-5,7H2
InChIKeyWZLUFAVWAZKFAI-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline?
The IUPAC name of 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline (CID 70485609) is 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline.
What is the SMILES notation for 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline?
The canonical SMILES for 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline is C1=CC2=C3NCCC3CCC2N=C1.
What is the InChIKey of 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline?
The InChIKey is WZLUFAVWAZKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-9-10(12-6-1)4-3-8-5-7-13-11(8)9/h1-2,6,8,10,13H,3-5,7H2.
What are the key properties of 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline?
2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline has a molecular weight of 174.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[2,3-f]quinoline is sourced from PubChem (CID 70485609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).