bromomethane;ethane;ethyl 2-iminopropanoate;toluene

C15H26BrNO2 — CID 142411253

IUPACbromomethane;ethane;ethyl 2-iminopropanoate;toluene
SMILESCBr.CC.Cc1ccccc1.[H]/N=C(\C)C(=O)OCC
InChIInChI=1S/C7H8.C5H9NO2.C2H6.CH3Br/c1-7-5-3-2-4-6-7;1-3-8-5(7)4(2)6;2*1-2/h2-6H,1H3;6H,3H2,1-2H3;1-2H3;1H3/b;6-4+;;
InChIKeyAASJYIRTZJCKNW-NGRWPUITSA-N
MW332.28 g/mol
LogP4.62
Rot. Bonds2

About bromomethane;ethane;ethyl 2-iminopropanoate;toluene

bromomethane;ethane;ethyl 2-iminopropanoate;toluene (PubChem CID 142411253) has the molecular formula C15H26BrNO2 and a molecular weight of 332.28 g/mol. Its IUPAC name is bromomethane;ethane;ethyl 2-iminopropanoate;toluene.

Molecular Properties

Compound Namebromomethane;ethane;ethyl 2-iminopropanoate;toluene
PubChem CID142411253
Molecular FormulaC15H26BrNO2
Molecular Weight332.28 g/mol
Exact Mass331.11
IUPAC Namebromomethane;ethane;ethyl 2-iminopropanoate;toluene
SMILESCBr.CC.Cc1ccccc1.[H]/N=C(\C)C(=O)OCC
InChIInChI=1S/C7H8.C5H9NO2.C2H6.CH3Br/c1-7-5-3-2-4-6-7;1-3-8-5(7)4(2)6;2*1-2/h2-6H,1H3;6H,3H2,1-2H3;1-2H3;1H3/b;6-4+;;
InChIKeyAASJYIRTZJCKNW-NGRWPUITSA-N
XLogP4.62
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromomethane;ethane;ethyl 2-iminopropanoate;toluene?
The IUPAC name of bromomethane;ethane;ethyl 2-iminopropanoate;toluene (CID 142411253) is bromomethane;ethane;ethyl 2-iminopropanoate;toluene.
What is the SMILES notation for bromomethane;ethane;ethyl 2-iminopropanoate;toluene?
The canonical SMILES for bromomethane;ethane;ethyl 2-iminopropanoate;toluene is CBr.CC.Cc1ccccc1.[H]/N=C(\C)C(=O)OCC.
What is the InChIKey of bromomethane;ethane;ethyl 2-iminopropanoate;toluene?
The InChIKey is AASJYIRTZJCKNW-NGRWPUITSA-N. The full InChI is InChI=1S/C7H8.C5H9NO2.C2H6.CH3Br/c1-7-5-3-2-4-6-7;1-3-8-5(7)4(2)6;2*1-2/h2-6H,1H3;6H,3H2,1-2H3;1-2H3;1H3/b;6-4+;;.
What are the key properties of bromomethane;ethane;ethyl 2-iminopropanoate;toluene?
bromomethane;ethane;ethyl 2-iminopropanoate;toluene has a molecular weight of 332.28 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;ethane;ethyl 2-iminopropanoate;toluene is sourced from PubChem (CID 142411253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).