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

C11H12N2 — CID 70578501

IUPAC2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline
SMILESc1ccc2c(c1)=NCC1CNCC=21
InChIInChI=1S/C11H12N2/c1-2-4-11-9(3-1)10-7-12-5-8(10)6-13-11/h1-4,8,12H,5-7H2
InChIKeyKYVRNNQVKZLJHV-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.31
Rot. Bonds

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

2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline (PubChem CID 70578501) 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[3,4-c]quinoline.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline
PubChem CID70578501
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline
SMILESc1ccc2c(c1)=NCC1CNCC=21
InChIInChI=1S/C11H12N2/c1-2-4-11-9(3-1)10-7-12-5-8(10)6-13-11/h1-4,8,12H,5-7H2
InChIKeyKYVRNNQVKZLJHV-UHFFFAOYSA-N
XLogP-0.31
TPSA24.39 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 ≤ 5-0.31
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[3,4-c]quinoline?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline (CID 70578501) is 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline is c1ccc2c(c1)=NCC1CNCC=21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline?
The InChIKey is KYVRNNQVKZLJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-11-9(3-1)10-7-12-5-8(10)6-13-11/h1-4,8,12H,5-7H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline?
2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]quinoline has a molecular weight of 172.23 g/mol, XLogP of -0.31, 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[3,4-c]quinoline is sourced from PubChem (CID 70578501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).