1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine

C19H18N2O — CID 134842088

IUPAC1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine
SMILESC(=NOCc1ccccc1)c1cccn1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-3-8-17(9-4-1)15-21-13-7-12-19(21)14-20-22-16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyKSKDIHVRUAVLAJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.09
Rot. Bonds6

About 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine

1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine (PubChem CID 134842088) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine
PubChem CID134842088
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine
SMILESC(=NOCc1ccccc1)c1cccn1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-3-8-17(9-4-1)15-21-13-7-12-19(21)14-20-22-16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyKSKDIHVRUAVLAJ-UHFFFAOYSA-N
XLogP4.09
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine?
The IUPAC name of 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine (CID 134842088) is 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine is C(=NOCc1ccccc1)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine?
The InChIKey is KSKDIHVRUAVLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-8-17(9-4-1)15-21-13-7-12-19(21)14-20-22-16-18-10-5-2-6-11-18/h1-14H,15-16H2.
What are the key properties of 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine?
1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine has a molecular weight of 290.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 134842088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).