2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline

C11H12N2 — CID 141172733

IUPAC2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline
SMILESC1=C2NCCC2Cc2cccnc21
InChIInChI=1S/C11H12N2/c1-2-8-6-9-3-5-13-11(9)7-10(8)12-4-1/h1-2,4,7,9,13H,3,5-6H2
InChIKeyVQBWMWHFMWHNBU-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.59
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline

2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline (PubChem CID 141172733) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline
PubChem CID141172733
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline
SMILESC1=C2NCCC2Cc2cccnc21
InChIInChI=1S/C11H12N2/c1-2-8-6-9-3-5-13-11(9)7-10(8)12-4-1/h1-2,4,7,9,13H,3,5-6H2
InChIKeyVQBWMWHFMWHNBU-UHFFFAOYSA-N
XLogP1.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.59
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-tetrahydro-1H-pyrrolo[3,2-g]quinoline?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline (CID 141172733) is 2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline is C1=C2NCCC2Cc2cccnc21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline?
The InChIKey is VQBWMWHFMWHNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-8-6-9-3-5-13-11(9)7-10(8)12-4-1/h1-2,4,7,9,13H,3,5-6H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline?
2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline has a molecular weight of 172.23 g/mol, XLogP of 1.59, 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-tetrahydro-1H-pyrrolo[3,2-g]quinoline is sourced from PubChem (CID 141172733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).