N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine

C12H12N2O — CID 781187

IUPACN-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILESCOc1ccc(/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C12H12N2O/c1-15-12-6-4-10(5-7-12)14-9-11-3-2-8-13-11/h2-9,13H,1H3/b14-9+
InChIKeyOBFWVPAWQMRFAA-NTEUORMPSA-N
MW200.24 g/mol
LogP2.77
Rot. Bonds3

About N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine

N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine (PubChem CID 781187) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine
PubChem CID781187
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILESCOc1ccc(/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C12H12N2O/c1-15-12-6-4-10(5-7-12)14-9-11-3-2-8-13-11/h2-9,13H,1H3/b14-9+
InChIKeyOBFWVPAWQMRFAA-NTEUORMPSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Pozanicline
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4-methoxy-N-(pyridin-3-ylmethyl)aniline
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1-(4-Methoxyphenyl)-1H-pyrrole
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[2-(4-Methoxy-phenyl)-ethyl]-(1-methyl-1H-pyrrol-2-ylmethyl)-amine
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(R)-2-Methyl-3-(2-pyrrolidinylmethoxy)pyridine
CID 127922
Phenol, 2-[(E)-(1H-pyrrol-2-ylmethylene)amino]-
CID 658315
N-(4-methoxyphenyl)pyridine-4-carbothioamide
CID 802480
N-ethyl-6-methoxypyridin-3-amine
CID 20786149
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CID 3240577

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine (CID 781187) is N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine is COc1ccc(/N=C/c2ccc[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine?
The InChIKey is OBFWVPAWQMRFAA-NTEUORMPSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-12-6-4-10(5-7-12)14-9-11-3-2-8-13-11/h2-9,13H,1H3/b14-9+.
What are the key properties of N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine?
N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine has a molecular weight of 200.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 781187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).