3-diazo-1-methoxy-1-phenylpropan-2-one

C10H10N2O2 — CID 86139518

IUPAC3-diazo-1-methoxy-1-phenylpropan-2-one
SMILESCOC(C(=O)C=[N+]=[N-])c1ccccc1
InChIInChI=1S/C10H10N2O2/c1-14-10(9(13)7-12-11)8-5-3-2-4-6-8/h2-7,10H,1H3
InChIKeyLVZZDTCYDDLXMT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.24
Rot. Bonds4

About 3-diazo-1-methoxy-1-phenylpropan-2-one

3-diazo-1-methoxy-1-phenylpropan-2-one (PubChem CID 86139518) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-diazo-1-methoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-diazo-1-methoxy-1-phenylpropan-2-one
PubChem CID86139518
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-diazo-1-methoxy-1-phenylpropan-2-one
SMILESCOC(C(=O)C=[N+]=[N-])c1ccccc1
InChIInChI=1S/C10H10N2O2/c1-14-10(9(13)7-12-11)8-5-3-2-4-6-8/h2-7,10H,1H3
InChIKeyLVZZDTCYDDLXMT-UHFFFAOYSA-N
XLogP1.24
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-diazo-3-phenylbutan-2-one
CID 57285931
methyl (2S)-6-diazo-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]-5-oxohexanoate
CID 170443977
CID 59883683
CID 59883683
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
2-methoxy-2-phenylacetate
CID 4569340
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
1-bromo-3-phenylbutan-2-one;1-diazo-3-phenylbutan-2-one;hydrobromide
CID 165098728
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563

Frequently Asked Questions

What is the IUPAC name of 3-diazo-1-methoxy-1-phenylpropan-2-one?
The IUPAC name of 3-diazo-1-methoxy-1-phenylpropan-2-one (CID 86139518) is 3-diazo-1-methoxy-1-phenylpropan-2-one.
What is the SMILES notation for 3-diazo-1-methoxy-1-phenylpropan-2-one?
The canonical SMILES for 3-diazo-1-methoxy-1-phenylpropan-2-one is COC(C(=O)C=[N+]=[N-])c1ccccc1.
What is the InChIKey of 3-diazo-1-methoxy-1-phenylpropan-2-one?
The InChIKey is LVZZDTCYDDLXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(9(13)7-12-11)8-5-3-2-4-6-8/h2-7,10H,1H3.
What are the key properties of 3-diazo-1-methoxy-1-phenylpropan-2-one?
3-diazo-1-methoxy-1-phenylpropan-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-1-methoxy-1-phenylpropan-2-one is sourced from PubChem (CID 86139518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).