N-methyl-1-(1H-pyrrol-3-yl)methanimine

C6H8N2 — CID 135966107

IUPACN-methyl-1-(1H-pyrrol-3-yl)methanimine
SMILESC/N=C/c1cc[nH]c1
InChIInChI=1S/C6H8N2/c1-7-4-6-2-3-8-5-6/h2-5,8H,1H3/b7-4+
InChIKeyPSVRPDOBIJJCGG-QPJJXVBHSA-N
MW108.14 g/mol
LogP1.06
Rot. Bonds1

About N-methyl-1-(1H-pyrrol-3-yl)methanimine

N-methyl-1-(1H-pyrrol-3-yl)methanimine (PubChem CID 135966107) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrrol-3-yl)methanimine
PubChem CID135966107
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC NameN-methyl-1-(1H-pyrrol-3-yl)methanimine
SMILESC/N=C/c1cc[nH]c1
InChIInChI=1S/C6H8N2/c1-7-4-6-2-3-8-5-6/h2-5,8H,1H3/b7-4+
InChIKeyPSVRPDOBIJJCGG-QPJJXVBHSA-N
XLogP1.06
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-1-(1H-pyrrol-3-yl)methanimine?
The IUPAC name of N-methyl-1-(1H-pyrrol-3-yl)methanimine (CID 135966107) is N-methyl-1-(1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for N-methyl-1-(1H-pyrrol-3-yl)methanimine?
The canonical SMILES for N-methyl-1-(1H-pyrrol-3-yl)methanimine is C/N=C/c1cc[nH]c1.
What is the InChIKey of N-methyl-1-(1H-pyrrol-3-yl)methanimine?
The InChIKey is PSVRPDOBIJJCGG-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H8N2/c1-7-4-6-2-3-8-5-6/h2-5,8H,1H3/b7-4+.
What are the key properties of N-methyl-1-(1H-pyrrol-3-yl)methanimine?
N-methyl-1-(1H-pyrrol-3-yl)methanimine has a molecular weight of 108.14 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 135966107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).