prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate

C16H16N2O3 — CID 85100766

IUPACprop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
SMILESC=CCOC(=O)C(CC1CCc2ccccc2C1=O)=[N+]=[N-]
InChIInChI=1S/C16H16N2O3/c1-2-9-21-16(20)14(18-17)10-12-8-7-11-5-3-4-6-13(11)15(12)19/h2-6,12H,1,7-10H2
InChIKeyFEKRSZUECRSKEN-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.22
Rot. Bonds5

About prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate

prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate (PubChem CID 85100766) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
PubChem CID85100766
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameprop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
SMILESC=CCOC(=O)C(CC1CCc2ccccc2C1=O)=[N+]=[N-]
InChIInChI=1S/C16H16N2O3/c1-2-9-21-16(20)14(18-17)10-12-8-7-11-5-3-4-6-13(11)15(12)19/h2-6,12H,1,7-10H2
InChIKeyFEKRSZUECRSKEN-UHFFFAOYSA-N
XLogP2.22
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(2-benzoylphenyl)-2-diazoacetate
CID 102221731
ethyl 2-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]buta-2,3-dienoate
CID 101759600
Methyl 2-diazo-6-naphthalen-2-yl-6-oxohexanoate
CID 164687198
2-(2-Diazo-3-naphthalen-1-yl-3-oxopropanoyl)oxyethyl 2-methylprop-2-enoate
CID 101558700
3-Diazo-4-oxo-1,2-dihydronaphthalene-1-carboxylic acid
CID 139777317
5-Diazo-1,2,5a,11a-tetrahydrobenzo[h][3]benzoxepine-6,11-dione
CID 145787188
Methyl 2-(2-benzoylphenyl)-2-diazoacetate
CID 170698863
Ethyl 2-diazo-2-[2-(4-methylbenzoyl)phenyl]acetate
CID 170698864
ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
CID 177151087
prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 10422644
but-3-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 10468463
prop-2-enyl 3-oxo-2-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]butanoate
CID 10851767

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The IUPAC name of prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate (CID 85100766) is prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate.
What is the SMILES notation for prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The canonical SMILES for prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate is C=CCOC(=O)C(CC1CCc2ccccc2C1=O)=[N+]=[N-].
What is the InChIKey of prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The InChIKey is FEKRSZUECRSKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-9-21-16(20)14(18-17)10-12-8-7-11-5-3-4-6-13(11)15(12)19/h2-6,12H,1,7-10H2.
What are the key properties of prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate has a molecular weight of 284.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate is sourced from PubChem (CID 85100766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).