N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide

C14H15N3O2 — CID 135771089

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
SMILESCC/C(=N\NC(=O)c1ccc[nH]1)c1ccc(O)cc1
InChIInChI=1S/C14H15N3O2/c1-2-12(10-5-7-11(18)8-6-10)16-17-14(19)13-4-3-9-15-13/h3-9,15,18H,2H2,1H3,(H,17,19)/b16-12+
InChIKeyFPWFEPMPXIREGI-FOWTUZBSSA-N
MW257.29 g/mol
LogP2.26
Rot. Bonds4

About N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 135771089) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID135771089
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
SMILESCC/C(=N\NC(=O)c1ccc[nH]1)c1ccc(O)cc1
InChIInChI=1S/C14H15N3O2/c1-2-12(10-5-7-11(18)8-6-10)16-17-14(19)13-4-3-9-15-13/h3-9,15,18H,2H2,1H3,(H,17,19)/b16-12+
InChIKeyFPWFEPMPXIREGI-FOWTUZBSSA-N
XLogP2.26
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-1H-pyrrole-2-carboxamide
CID 9026554
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135788611
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide (CID 135771089) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide is CC/C(=N\NC(=O)c1ccc[nH]1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is FPWFEPMPXIREGI-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-12(10-5-7-11(18)8-6-10)16-17-14(19)13-4-3-9-15-13/h3-9,15,18H,2H2,1H3,(H,17,19)/b16-12+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135771089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).