benzoyl benzenecarboperoxoate;prop-2-en-1-amine

C17H17NO4 — CID 88605356

IUPACbenzoyl benzenecarboperoxoate;prop-2-en-1-amine
SMILESC=CCN.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C3H7N/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-2-3-4/h1-10H;2H,1,3-4H2
InChIKeyWQZWLLANBFWDFY-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.75
Rot. Bonds3

About benzoyl benzenecarboperoxoate;prop-2-en-1-amine

benzoyl benzenecarboperoxoate;prop-2-en-1-amine (PubChem CID 88605356) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;prop-2-en-1-amine.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;prop-2-en-1-amine
PubChem CID88605356
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namebenzoyl benzenecarboperoxoate;prop-2-en-1-amine
SMILESC=CCN.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C3H7N/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-2-3-4/h1-10H;2H,1,3-4H2
InChIKeyWQZWLLANBFWDFY-UHFFFAOYSA-N
XLogP2.75
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
benzoyl benzenecarboperoxoate;2-ethenylphenol
CID 174484320
formic acid;prop-2-enyl benzoate
CID 174813743
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
undec-10-enoyl benzenecarboperoxoate
CID 14098196
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
ethenyl benzoate
CID 158178912
2-benzoyloxyethyl benzoate;ethene
CID 67969171

Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;prop-2-en-1-amine?
The IUPAC name of benzoyl benzenecarboperoxoate;prop-2-en-1-amine (CID 88605356) is benzoyl benzenecarboperoxoate;prop-2-en-1-amine.
What is the SMILES notation for benzoyl benzenecarboperoxoate;prop-2-en-1-amine?
The canonical SMILES for benzoyl benzenecarboperoxoate;prop-2-en-1-amine is C=CCN.O=C(OOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzenecarboperoxoate;prop-2-en-1-amine?
The InChIKey is WQZWLLANBFWDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.C3H7N/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-2-3-4/h1-10H;2H,1,3-4H2.
What are the key properties of benzoyl benzenecarboperoxoate;prop-2-en-1-amine?
benzoyl benzenecarboperoxoate;prop-2-en-1-amine has a molecular weight of 299.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;prop-2-en-1-amine is sourced from PubChem (CID 88605356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).