9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline

C12H16N2 — CID 18071403

IUPAC9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline
SMILESCC1c2ccccc2NC2CNCC21
InChIInChI=1S/C12H16N2/c1-8-9-4-2-3-5-11(9)14-12-7-13-6-10(8)12/h2-5,8,10,12-14H,6-7H2,1H3
InChIKeySRYYINZVICDDTK-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.80
Rot. Bonds

About 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline

9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline (PubChem CID 18071403) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline.

Molecular Properties

Compound Name9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline
PubChem CID18071403
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline
SMILESCC1c2ccccc2NC2CNCC21
InChIInChI=1S/C12H16N2/c1-8-9-4-2-3-5-11(9)14-12-7-13-6-10(8)12/h2-5,8,10,12-14H,6-7H2,1H3
InChIKeySRYYINZVICDDTK-UHFFFAOYSA-N
XLogP1.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 129413587
(8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane
CID 91464467
(4aR,9bR)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 11805243
(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene
CID 10243706
(10aS)-7-methyl-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
CID 129109613
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
CID 140807069
CID 140807069
(1R,2S,11S,12S)-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaene
CID 102272217
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817894
3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106820245
2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline?
The IUPAC name of 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline (CID 18071403) is 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline.
What is the SMILES notation for 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline?
The canonical SMILES for 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline is CC1c2ccccc2NC2CNCC21.
What is the InChIKey of 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline?
The InChIKey is SRYYINZVICDDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-9-4-2-3-5-11(9)14-12-7-13-6-10(8)12/h2-5,8,10,12-14H,6-7H2,1H3.
What are the key properties of 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline?
9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline has a molecular weight of 188.27 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline is sourced from PubChem (CID 18071403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).