2-(1-methylpyrrol-2-yl)ethanimidamide

C7H11N3 — CID 4604099

IUPAC2-(1-methylpyrrol-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccn1C
InChIInChI=1S/C7H11N3/c1-10-4-2-3-6(10)5-7(8)9/h2-4H,5H2,1H3,(H3,8,9)
InChIKeyCTXOEDFJTWYPCB-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.50
Rot. Bonds2

About 2-(1-methylpyrrol-2-yl)ethanimidamide

2-(1-methylpyrrol-2-yl)ethanimidamide (PubChem CID 4604099) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)ethanimidamide
PubChem CID4604099
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-(1-methylpyrrol-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccn1C
InChIInChI=1S/C7H11N3/c1-10-4-2-3-6(10)5-7(8)9/h2-4H,5H2,1H3,(H3,8,9)
InChIKeyCTXOEDFJTWYPCB-UHFFFAOYSA-N
XLogP0.50
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(1-methylpyrrol-2-yl)ethanimidamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)ethanimidamide (CID 4604099) is 2-(1-methylpyrrol-2-yl)ethanimidamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)ethanimidamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)ethanimidamide is [H]/N=C(\N)Cc1cccn1C.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)ethanimidamide?
The InChIKey is CTXOEDFJTWYPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-10-4-2-3-6(10)5-7(8)9/h2-4H,5H2,1H3,(H3,8,9).
What are the key properties of 2-(1-methylpyrrol-2-yl)ethanimidamide?
2-(1-methylpyrrol-2-yl)ethanimidamide has a molecular weight of 137.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)ethanimidamide is sourced from PubChem (CID 4604099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).