1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate

C14H22N2O3 — CID 174859614

IUPAC1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate
SMILESCCN(N)CC.COOC(=O)C=Cc1ccccc1
InChIInChI=1S/C10H10O3.C4H12N2/c1-12-13-10(11)8-7-9-5-3-2-4-6-9;1-3-6(5)4-2/h2-8H,1H3;3-5H2,1-2H3
InChIKeyRKSPVCHJJLEQMG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.01
Rot. Bonds5

About 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate

1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate (PubChem CID 174859614) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate.

Molecular Properties

Compound Name1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate
PubChem CID174859614
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate
SMILESCCN(N)CC.COOC(=O)C=Cc1ccccc1
InChIInChI=1S/C10H10O3.C4H12N2/c1-12-13-10(11)8-7-9-5-3-2-4-6-9;1-3-6(5)4-2/h2-8H,1H3;3-5H2,1-2H3
InChIKeyRKSPVCHJJLEQMG-UHFFFAOYSA-N
XLogP2.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

amino 3-phenylprop-2-enoate
CID 67189797
methyl 3-[4-(hydroxymethyl)phenyl]prop-2-eneperoxoate
CID 89277530
methyl 3-(4-methoxyphenyl)prop-2-eneperoxoate
CID 87945144
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
trimethylsilyl (E)-3-phenylprop-2-eneperoxoate
CID 22561457
1-chloropropyl (E)-3-phenylprop-2-enoate
CID 19931493
octyl 3-phenylprop-2-eneperoxoate
CID 175284164
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
(3Z,5E)-4-methoxycarbonyl-3-methyl-6-phenylhexa-3,5-dienoic acid
CID 14911167

Frequently Asked Questions

What is the IUPAC name of 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate?
The IUPAC name of 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate (CID 174859614) is 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate.
What is the SMILES notation for 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate?
The canonical SMILES for 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate is CCN(N)CC.COOC(=O)C=Cc1ccccc1.
What is the InChIKey of 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate?
The InChIKey is RKSPVCHJJLEQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C4H12N2/c1-12-13-10(11)8-7-9-5-3-2-4-6-9;1-3-6(5)4-2/h2-8H,1H3;3-5H2,1-2H3.
What are the key properties of 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate?
1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate has a molecular weight of 266.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylhydrazine;methyl 3-phenylprop-2-eneperoxoate is sourced from PubChem (CID 174859614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).