3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol

C13H15NO2 — CID 56624458

IUPAC3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol
SMILESCONC1=CC(O)C=C1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-16-14-13-9-12(15)8-11(13)7-10-5-3-2-4-6-10/h2-6,8-9,12,14-15H,7H2,1H3
InChIKeyWZYAWCOVOMHJOJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.56
Rot. Bonds4

About 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol

3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol (PubChem CID 56624458) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol
PubChem CID56624458
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol
SMILESCONC1=CC(O)C=C1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-16-14-13-9-12(15)8-11(13)7-10-5-3-2-4-6-10/h2-6,8-9,12,14-15H,7H2,1H3
InChIKeyWZYAWCOVOMHJOJ-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
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3-Phenyl-2,5-dihydro-1,2-oxazole
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(5-methyl-3-phenyl-2H-1,2-oxazol-5-yl)methanol
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(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol
CID 54227131
3-Benzyl-2,5-dihydro-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol?
The IUPAC name of 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol (CID 56624458) is 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol.
What is the SMILES notation for 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol?
The canonical SMILES for 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol is CONC1=CC(O)C=C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol?
The InChIKey is WZYAWCOVOMHJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-14-13-9-12(15)8-11(13)7-10-5-3-2-4-6-10/h2-6,8-9,12,14-15H,7H2,1H3.
What are the key properties of 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol?
3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 56624458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).