3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol

C11H15N3O3 — CID 145294723

IUPAC3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol
SMILESCOc1cc(/C=N/NCCCO)ccc1N=O
InChIInChI=1S/C11H15N3O3/c1-17-11-7-9(3-4-10(11)14-16)8-13-12-5-2-6-15/h3-4,7-8,12,15H,2,5-6H2,1H3/b13-8+
InChIKeyUHOQZLJYRARORC-MDWZMJQESA-N
MW237.26 g/mol
LogP1.40
Rot. Bonds7

About 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol

3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol (PubChem CID 145294723) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol.

Molecular Properties

Compound Name3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol
PubChem CID145294723
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol
SMILESCOc1cc(/C=N/NCCCO)ccc1N=O
InChIInChI=1S/C11H15N3O3/c1-17-11-7-9(3-4-10(11)14-16)8-13-12-5-2-6-15/h3-4,7-8,12,15H,2,5-6H2,1H3/b13-8+
InChIKeyUHOQZLJYRARORC-MDWZMJQESA-N
XLogP1.40
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506453
2-ethoxy-N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]ethanamine
CID 135352656
2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840069
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid
CID 71628364
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 44621289
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol?
The IUPAC name of 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol (CID 145294723) is 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol.
What is the SMILES notation for 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol?
The canonical SMILES for 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol is COc1cc(/C=N/NCCCO)ccc1N=O.
What is the InChIKey of 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol?
The InChIKey is UHOQZLJYRARORC-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-11-7-9(3-4-10(11)14-16)8-13-12-5-2-6-15/h3-4,7-8,12,15H,2,5-6H2,1H3/b13-8+.
What are the key properties of 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol?
3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(3-methoxy-4-nitrosophenyl)methylidene]hydrazinyl]propan-1-ol is sourced from PubChem (CID 145294723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).