1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide

C9H12N4 — CID 155230141

IUPAC1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(cn1)N(C)CC2
InChIInChI=1S/C9H12N4/c1-13-3-2-6-4-7(9(10)11)12-5-8(6)13/h4-5H,2-3H2,1H3,(H3,10,11)
InChIKeyAMBRRVGQPSJQTP-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.36
Rot. Bonds1

About 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide

1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide (PubChem CID 155230141) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide.

Molecular Properties

Compound Name1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide
PubChem CID155230141
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(cn1)N(C)CC2
InChIInChI=1S/C9H12N4/c1-13-3-2-6-4-7(9(10)11)12-5-8(6)13/h4-5H,2-3H2,1H3,(H3,10,11)
InChIKeyAMBRRVGQPSJQTP-UHFFFAOYSA-N
XLogP0.36
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide?
The IUPAC name of 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide (CID 155230141) is 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide.
What is the SMILES notation for 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide?
The canonical SMILES for 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide is [H]/N=C(\N)c1cc2c(cn1)N(C)CC2.
What is the InChIKey of 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide?
The InChIKey is AMBRRVGQPSJQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13-3-2-6-4-7(9(10)11)12-5-8(6)13/h4-5H,2-3H2,1H3,(H3,10,11).
What are the key properties of 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide?
1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide has a molecular weight of 176.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboximidamide is sourced from PubChem (CID 155230141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).