1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline

C12H16N2 — CID 12841383

IUPAC1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline
SMILESCN1CCC2CCc3ncccc3C21
InChIInChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3
InChIKeyIWIBAQWOZHPVCE-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.02
Rot. Bonds

About 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline

1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline (PubChem CID 12841383) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline.

Molecular Properties

Compound Name1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline
PubChem CID12841383
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline
SMILESCN1CCC2CCc3ncccc3C21
InChIInChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3
InChIKeyIWIBAQWOZHPVCE-UHFFFAOYSA-N
XLogP2.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline?
The IUPAC name of 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline (CID 12841383) is 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline.
What is the SMILES notation for 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline?
The canonical SMILES for 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline is CN1CCC2CCc3ncccc3C21.
What is the InChIKey of 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline?
The InChIKey is IWIBAQWOZHPVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3.
What are the key properties of 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline?
1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline has a molecular weight of 188.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline is sourced from PubChem (CID 12841383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).