N-benzyl-1-(1-methylpyrrol-2-yl)methanimine

C13H14N2 — CID 10821819

IUPACN-benzyl-1-(1-methylpyrrol-2-yl)methanimine
SMILESCn1cccc1/C=N/Cc1ccccc1
InChIInChI=1S/C13H14N2/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/b14-11+
InChIKeyLWCUFVHURVVTGI-SDNWHVSQSA-N
MW198.27 g/mol
LogP2.64
Rot. Bonds3

About N-benzyl-1-(1-methylpyrrol-2-yl)methanimine

N-benzyl-1-(1-methylpyrrol-2-yl)methanimine (PubChem CID 10821819) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-benzyl-1-(1-methylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(1-methylpyrrol-2-yl)methanimine
PubChem CID10821819
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-benzyl-1-(1-methylpyrrol-2-yl)methanimine
SMILESCn1cccc1/C=N/Cc1ccccc1
InChIInChI=1S/C13H14N2/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/b14-11+
InChIKeyLWCUFVHURVVTGI-SDNWHVSQSA-N
XLogP2.64
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.64
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-benzyl-1-(1-methylpyrrol-2-yl)methanimine?
The IUPAC name of N-benzyl-1-(1-methylpyrrol-2-yl)methanimine (CID 10821819) is N-benzyl-1-(1-methylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(1-methylpyrrol-2-yl)methanimine?
The canonical SMILES for N-benzyl-1-(1-methylpyrrol-2-yl)methanimine is Cn1cccc1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(1-methylpyrrol-2-yl)methanimine?
The InChIKey is LWCUFVHURVVTGI-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H14N2/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/b14-11+.
What are the key properties of N-benzyl-1-(1-methylpyrrol-2-yl)methanimine?
N-benzyl-1-(1-methylpyrrol-2-yl)methanimine has a molecular weight of 198.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-methylpyrrol-2-yl)methanimine is sourced from PubChem (CID 10821819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).