5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine

C8H13N3 — CID 89472760

IUPAC5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine
SMILESC=C/N=C/C1=C(N)CCN1C
InChIInChI=1S/C8H13N3/c1-3-10-6-8-7(9)4-5-11(8)2/h3,6H,1,4-5,9H2,2H3/b10-6+
InChIKeySXIBIMGLYQKMCG-UXBLZVDNSA-N
MW151.21 g/mol
LogP0.71
Rot. Bonds2

About 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine

5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine (PubChem CID 89472760) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine.

Molecular Properties

Compound Name5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine
PubChem CID89472760
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine
SMILESC=C/N=C/C1=C(N)CCN1C
InChIInChI=1S/C8H13N3/c1-3-10-6-8-7(9)4-5-11(8)2/h3,6H,1,4-5,9H2,2H3/b10-6+
InChIKeySXIBIMGLYQKMCG-UXBLZVDNSA-N
XLogP0.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine?
The IUPAC name of 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine (CID 89472760) is 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine.
What is the SMILES notation for 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine?
The canonical SMILES for 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine is C=C/N=C/C1=C(N)CCN1C.
What is the InChIKey of 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine?
The InChIKey is SXIBIMGLYQKMCG-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-10-6-8-7(9)4-5-11(8)2/h3,6H,1,4-5,9H2,2H3/b10-6+.
What are the key properties of 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine?
5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine has a molecular weight of 151.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine is sourced from PubChem (CID 89472760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).