N-(3H-pyrrol-3-yl)methanimine

C5H6N2 — CID 123397348

IUPACN-(3H-pyrrol-3-yl)methanimine
SMILESC=NC1C=CN=C1
InChIInChI=1S/C5H6N2/c1-6-5-2-3-7-4-5/h2-5H,1H2
InChIKeyBVJNPRNBOMUAFV-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.65
Rot. Bonds1

About N-(3H-pyrrol-3-yl)methanimine

N-(3H-pyrrol-3-yl)methanimine (PubChem CID 123397348) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is N-(3H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(3H-pyrrol-3-yl)methanimine
PubChem CID123397348
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC NameN-(3H-pyrrol-3-yl)methanimine
SMILESC=NC1C=CN=C1
InChIInChI=1S/C5H6N2/c1-6-5-2-3-7-4-5/h2-5H,1H2
InChIKeyBVJNPRNBOMUAFV-UHFFFAOYSA-N
XLogP0.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(3H-pyrrol-3-yl)methanimine?
The IUPAC name of N-(3H-pyrrol-3-yl)methanimine (CID 123397348) is N-(3H-pyrrol-3-yl)methanimine.
What is the SMILES notation for N-(3H-pyrrol-3-yl)methanimine?
The canonical SMILES for N-(3H-pyrrol-3-yl)methanimine is C=NC1C=CN=C1.
What is the InChIKey of N-(3H-pyrrol-3-yl)methanimine?
The InChIKey is BVJNPRNBOMUAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-6-5-2-3-7-4-5/h2-5H,1H2.
What are the key properties of N-(3H-pyrrol-3-yl)methanimine?
N-(3H-pyrrol-3-yl)methanimine has a molecular weight of 94.12 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 123397348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).