3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole

C11H14N2 — CID 170089560

IUPAC3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole
SMILESCN1C=CN2C3=CCCC=C3CC12
InChIInChI=1S/C11H14N2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13/h4-7,11H,2-3,8H2,1H3
InChIKeyFUUAUPOTZYSHNJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.04
Rot. Bonds

About 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole

3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole (PubChem CID 170089560) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole.

Molecular Properties

Compound Name3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole
PubChem CID170089560
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole
SMILESCN1C=CN2C3=CCCC=C3CC12
InChIInChI=1S/C11H14N2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13/h4-7,11H,2-3,8H2,1H3
InChIKeyFUUAUPOTZYSHNJ-UHFFFAOYSA-N
XLogP2.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole?
The IUPAC name of 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole (CID 170089560) is 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole.
What is the SMILES notation for 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole?
The canonical SMILES for 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole is CN1C=CN2C3=CCCC=C3CC12.
What is the InChIKey of 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole?
The InChIKey is FUUAUPOTZYSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole?
3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole has a molecular weight of 174.25 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3a,4,6,7-tetrahydroimidazo[1,2-a]indole is sourced from PubChem (CID 170089560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).