3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline

C13H17N — CID 10655190

IUPAC3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline
SMILESCC12CCCN1c1ccccc1CC2
InChIInChI=1S/C13H17N/c1-13-8-4-10-14(13)12-6-3-2-5-11(12)7-9-13/h2-3,5-6H,4,7-10H2,1H3
InChIKeyJJNDCSNRTGUQFK-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.99
Rot. Bonds

About 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline

3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline (PubChem CID 10655190) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline.

Molecular Properties

Compound Name3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline
PubChem CID10655190
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline
SMILESCC12CCCN1c1ccccc1CC2
InChIInChI=1S/C13H17N/c1-13-8-4-10-14(13)12-6-3-2-5-11(12)7-9-13/h2-3,5-6H,4,7-10H2,1H3
InChIKeyJJNDCSNRTGUQFK-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline?
The IUPAC name of 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline (CID 10655190) is 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline.
What is the SMILES notation for 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline?
The canonical SMILES for 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline is CC12CCCN1c1ccccc1CC2.
What is the InChIKey of 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline?
The InChIKey is JJNDCSNRTGUQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-13-8-4-10-14(13)12-6-3-2-5-11(12)7-9-13/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline?
3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline has a molecular weight of 187.29 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline is sourced from PubChem (CID 10655190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).