N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine

C14H14N2O2 — CID 50855868

IUPACN-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine
SMILESCc1ccc(/C=N/c2ccc3c(c2)OCO3)n1C
InChIInChI=1S/C14H14N2O2/c1-10-3-5-12(16(10)2)8-15-11-4-6-13-14(7-11)18-9-17-13/h3-8H,9H2,1-2H3/b15-8+
InChIKeyBNFAJGRCAUCBQD-OVCLIPMQSA-N
MW242.28 g/mol
LogP2.81
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine

N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine (PubChem CID 50855868) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine
PubChem CID50855868
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine
SMILESCc1ccc(/C=N/c2ccc3c(c2)OCO3)n1C
InChIInChI=1S/C14H14N2O2/c1-10-3-5-12(16(10)2)8-15-11-4-6-13-14(7-11)18-9-17-13/h3-8H,9H2,1-2H3/b15-8+
InChIKeyBNFAJGRCAUCBQD-OVCLIPMQSA-N
XLogP2.81
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethylpyrrol-1-yl]benzamide
CID 126206096
10-(1,3-benzodioxol-5-yliminomethyl)anthracene-1,8,9-triol
CID 135419334
N-(1,3-benzodioxol-5-yl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867627
2-(1,3-benzodioxol-5-yliminomethyl)-5-(diethylamino)phenol
CID 2352957
5-methyl-1,3-benzodioxole
CID 142082223
2-(1,3-benzodioxol-5-yliminomethyl)-5-propoxyphenol
CID 135787703
4-(1,3-benzodioxol-5-yliminomethyl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-1H-pyrazol-3-one
CID 135932932
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine
CID 3562864
2-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 126390483
2-(1,3-benzodioxol-5-yliminomethyl)-4-[(3-bromophenyl)diazenyl]phenol
CID 170650888
3-[5-(1,3-benzodioxol-5-yliminomethyl)furan-2-yl]benzoate
CID 6957315
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 126111414

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine (CID 50855868) is N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine is Cc1ccc(/C=N/c2ccc3c(c2)OCO3)n1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine?
The InChIKey is BNFAJGRCAUCBQD-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-3-5-12(16(10)2)8-15-11-4-6-13-14(7-11)18-9-17-13/h3-8H,9H2,1-2H3/b15-8+.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine?
N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine has a molecular weight of 242.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(1,5-dimethylpyrrol-2-yl)methanimine is sourced from PubChem (CID 50855868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).