N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide

C14H19N3O2 — CID 135607970

IUPACN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(O)c(/C=N/NC(=O)CN2CCCC2)c1
InChIInChI=1S/C14H19N3O2/c1-11-4-5-13(18)12(8-11)9-15-16-14(19)10-17-6-2-3-7-17/h4-5,8-9,18H,2-3,6-7,10H2,1H3,(H,16,19)/b15-9+
InChIKeyZYSOGIFZWJBGLI-OQLLNIDSSA-N
MW261.32 g/mol
LogP1.25
Rot. Bonds4

About N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide

N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide (PubChem CID 135607970) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
PubChem CID135607970
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(O)c(/C=N/NC(=O)CN2CCCC2)c1
InChIInChI=1S/C14H19N3O2/c1-11-4-5-13(18)12(8-11)9-15-16-14(19)10-17-6-2-3-7-17/h4-5,8-9,18H,2-3,6-7,10H2,1H3,(H,16,19)/b15-9+
InChIKeyZYSOGIFZWJBGLI-OQLLNIDSSA-N
XLogP1.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
2-[(2-Hydroxyphenyl)methylene]-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]hydrazinecarboxamide
CID 335340
Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
2-(1-azepanyl)-N'-(2-hydroxybenzylidene)-2-oxoacetohydrazide
CID 135457596
N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-piperidin-1-ylacetohydrazide
CID 135671630
2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide
CID 135875939
2-(4-benzylpiperidin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135875949
N'-(2-Hydroxybenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
CID 135533972
N'-[(2-hydroxy-1-naphthyl)methylene]-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135438745
N'-[(E)-(4-methoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)acetohydrazide
CID 9615644
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 136510243
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135723720

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide (CID 135607970) is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide is Cc1ccc(O)c(/C=N/NC(=O)CN2CCCC2)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZYSOGIFZWJBGLI-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-4-5-13(18)12(8-11)9-15-16-14(19)10-17-6-2-3-7-17/h4-5,8-9,18H,2-3,6-7,10H2,1H3,(H,16,19)/b15-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 135607970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).