(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide

C11H15N3 — CID 123628198

IUPAC(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide
SMILESC=CNC(/C=C/c1cccn1C)=N\C
InChIInChI=1S/C11H15N3/c1-4-13-11(12-2)8-7-10-6-5-9-14(10)3/h4-9H,1H2,2-3H3,(H,12,13)/b8-7+
InChIKeyHQUUQXFPTRUAOM-BQYQJAHWSA-N
MW189.26 g/mol
LogP1.80
Rot. Bonds3

About (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide

(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide (PubChem CID 123628198) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide
PubChem CID123628198
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide
SMILESC=CNC(/C=C/c1cccn1C)=N\C
InChIInChI=1S/C11H15N3/c1-4-13-11(12-2)8-7-10-6-5-9-14(10)3/h4-9H,1H2,2-3H3,(H,12,13)/b8-7+
InChIKeyHQUUQXFPTRUAOM-BQYQJAHWSA-N
XLogP1.80
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
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 (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide?
The IUPAC name of (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide (CID 123628198) is (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide.
What is the SMILES notation for (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide?
The canonical SMILES for (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide is C=CNC(/C=C/c1cccn1C)=N\C.
What is the InChIKey of (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide?
The InChIKey is HQUUQXFPTRUAOM-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-13-11(12-2)8-7-10-6-5-9-14(10)3/h4-9H,1H2,2-3H3,(H,12,13)/b8-7+.
What are the key properties of (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide?
(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide has a molecular weight of 189.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide is sourced from PubChem (CID 123628198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).