N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide

C14H15N3O2 — CID 50855653

IUPACN-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(O)cc2)n1C
InChIInChI=1S/C14H15N3O2/c1-10-3-6-12(17(10)2)9-15-16-14(19)11-4-7-13(18)8-5-11/h3-9,18H,1-2H3,(H,16,19)/b15-9+
InChIKeyOONOBRWMGRJPDQ-OQLLNIDSSA-N
MW257.29 g/mol
LogP1.80
Rot. Bonds3

About N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide

N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide (PubChem CID 50855653) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide
PubChem CID50855653
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(O)cc2)n1C
InChIInChI=1S/C14H15N3O2/c1-10-3-6-12(17(10)2)9-15-16-14(19)11-4-7-13(18)8-5-11/h3-9,18H,1-2H3,(H,16,19)/b15-9+
InChIKeyOONOBRWMGRJPDQ-OQLLNIDSSA-N
XLogP1.80
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-chloro-N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]benzamide
CID 50855655
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
CID 50855634
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579
4-fluoro-N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 126029104
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 50856364
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]benzamide
CID 50856591
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 9073069
4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide
CID 50857660

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide (CID 50855653) is N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide is Cc1ccc(/C=N/NC(=O)c2ccc(O)cc2)n1C.
What is the InChIKey of N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is OONOBRWMGRJPDQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-3-6-12(17(10)2)9-15-16-14(19)11-4-7-13(18)8-5-11/h3-9,18H,1-2H3,(H,16,19)/b15-9+.
What are the key properties of N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide?
N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 257.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 50855653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).