N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide

C10H12N2O3 — CID 10584470

IUPACN-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide
SMILESO=C(N/N=C/[C@H](O)CO)c1ccccc1
InChIInChI=1S/C10H12N2O3/c13-7-9(14)6-11-12-10(15)8-4-2-1-3-5-8/h1-6,9,13-14H,7H2,(H,12,15)/b11-6+/t9-/m0/s1
InChIKeyMPHYXODNUXNYKX-CAXXOGMASA-N
MW208.22 g/mol
LogP-0.24
Rot. Bonds4

About N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide

N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide (PubChem CID 10584470) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide
PubChem CID10584470
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide
SMILESO=C(N/N=C/[C@H](O)CO)c1ccccc1
InChIInChI=1S/C10H12N2O3/c13-7-9(14)6-11-12-10(15)8-4-2-1-3-5-8/h1-6,9,13-14H,7H2,(H,12,15)/b11-6+/t9-/m0/s1
InChIKeyMPHYXODNUXNYKX-CAXXOGMASA-N
XLogP-0.24
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
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

N'-[(1E)-butylidene]-4-fluorobenzohydrazide
CID 9631287
N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]benzohydrazide
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N'-((1E)-2,2-dimethylpropylidene)benzohydrazide
CID 11564693
Benzoic acid, 2-(2-methylpropylidene)hydrazide
CID 112687
N'-(2-Methylpropylidene)benzohydrazide
CID 9563269
3-fluoro-N'-[(1E)-propylidene]benzohydrazide
CID 9676141
N-[(E)-ethylideneamino]benzamide
CID 9574240
N-[(E)-[(5E)-5-(benzoylhydrazinylidene)pentylidene]amino]benzamide
CID 145983682
N-[(E)-[(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide
CID 145985186
N-[(E)-3-methylbutylideneamino]benzamide
CID 6071001
N'-Octylidenebenzohydrazide
CID 9554884
(2E)-2-(benzoylhydrazinylidene)acetic acid
CID 9566377

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide?
The IUPAC name of N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide (CID 10584470) is N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide is O=C(N/N=C/[C@H](O)CO)c1ccccc1.
What is the InChIKey of N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide?
The InChIKey is MPHYXODNUXNYKX-CAXXOGMASA-N. The full InChI is InChI=1S/C10H12N2O3/c13-7-9(14)6-11-12-10(15)8-4-2-1-3-5-8/h1-6,9,13-14H,7H2,(H,12,15)/b11-6+/t9-/m0/s1.
What are the key properties of N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide?
N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide has a molecular weight of 208.22 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide is sourced from PubChem (CID 10584470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).