2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline

C14H16N2 — CID 155791370

IUPAC2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline
SMILESCC1=NC2=C(C=CC3C=CC=NC23)C1(C)C
InChIInChI=1S/C14H16N2/c1-9-14(2,3)11-7-6-10-5-4-8-15-12(10)13(11)16-9/h4-8,10,12H,1-3H3
InChIKeyZOJAQAWGKHJLGZ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.94
Rot. Bonds

About 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline

2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline (PubChem CID 155791370) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline.

Molecular Properties

Compound Name2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline
PubChem CID155791370
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline
SMILESCC1=NC2=C(C=CC3C=CC=NC23)C1(C)C
InChIInChI=1S/C14H16N2/c1-9-14(2,3)11-7-6-10-5-4-8-15-12(10)13(11)16-9/h4-8,10,12H,1-3H3
InChIKeyZOJAQAWGKHJLGZ-UHFFFAOYSA-N
XLogP2.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline?
The IUPAC name of 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline (CID 155791370) is 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline.
What is the SMILES notation for 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline?
The canonical SMILES for 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline is CC1=NC2=C(C=CC3C=CC=NC23)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline?
The InChIKey is ZOJAQAWGKHJLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9-14(2,3)11-7-6-10-5-4-8-15-12(10)13(11)16-9/h4-8,10,12H,1-3H3.
What are the key properties of 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline?
2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline has a molecular weight of 212.30 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-5a,9a-dihydropyrrolo[3,2-h]quinoline is sourced from PubChem (CID 155791370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).