6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium

C11H15N2+ — CID 156661009

IUPAC6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium
SMILESCC(C)C1=C2C=C[N+](C)=CC2N=C1
InChIInChI=1S/C11H15N2/c1-8(2)10-6-12-11-7-13(3)5-4-9(10)11/h4-8,11H,1-3H3/q+1
InChIKeySVABIMGDHSMCAJ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.63
Rot. Bonds1

About 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium

6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium (PubChem CID 156661009) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium
PubChem CID156661009
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium
SMILESCC(C)C1=C2C=C[N+](C)=CC2N=C1
InChIInChI=1S/C11H15N2/c1-8(2)10-6-12-11-7-13(3)5-4-9(10)11/h4-8,11H,1-3H3/q+1
InChIKeySVABIMGDHSMCAJ-UHFFFAOYSA-N
XLogP1.63
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8aH-pyrido[3,4-b]indole
CID 57235232
12-Methyl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1(15),2,4,6,8,10-hexaene
CID 57306056
6-tert-butyl-8aH-indolizin-4-ium
CID 59125443
(12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene
CID 68922580
5-Methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
CID 91516061
3-ethyl-7-(1-methyl-3-pyridinyl)-3H-azepine
CID 124032743
6-propan-2-yl-7aH-indole
CID 134222572
6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine
CID 146522461
6-ethyl-6H-indole
CID 149934117
2-propan-2-yl-3aH-isoindol-2-ium
CID 155615523
2-methyl-3aH-isoindol-2-ium
CID 155692670
10-Methyl-10,10a-dihydropyrazino[1,2-a]azepine
CID 156340342

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium?
The IUPAC name of 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium (CID 156661009) is 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium.
What is the SMILES notation for 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium?
The canonical SMILES for 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium is CC(C)C1=C2C=C[N+](C)=CC2N=C1.
What is the InChIKey of 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium?
The InChIKey is SVABIMGDHSMCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-8(2)10-6-12-11-7-13(3)5-4-9(10)11/h4-8,11H,1-3H3/q+1.
What are the key properties of 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium?
6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium has a molecular weight of 175.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-7aH-pyrrolo[2,3-c]pyridin-6-ium is sourced from PubChem (CID 156661009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).