methyl (E)-5-nitrosopent-2-enoate

C6H9NO3 — CID 163651489

IUPACmethyl (E)-5-nitrosopent-2-enoate
SMILESCOC(=O)/C=C/CCN=O
InChIInChI=1S/C6H9NO3/c1-10-6(8)4-2-3-5-7-9/h2,4H,3,5H2,1H3/b4-2+
InChIKeyIMPVNPOWXROSSD-DUXPYHPUSA-N
MW143.14 g/mol
LogP0.87
Rot. Bonds4

About methyl (E)-5-nitrosopent-2-enoate

methyl (E)-5-nitrosopent-2-enoate (PubChem CID 163651489) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl (E)-5-nitrosopent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-nitrosopent-2-enoate
PubChem CID163651489
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl (E)-5-nitrosopent-2-enoate
SMILESCOC(=O)/C=C/CCN=O
InChIInChI=1S/C6H9NO3/c1-10-6(8)4-2-3-5-7-9/h2,4H,3,5H2,1H3/b4-2+
InChIKeyIMPVNPOWXROSSD-DUXPYHPUSA-N
XLogP0.87
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-nitrosopent-2-enoate?
The IUPAC name of methyl (E)-5-nitrosopent-2-enoate (CID 163651489) is methyl (E)-5-nitrosopent-2-enoate.
What is the SMILES notation for methyl (E)-5-nitrosopent-2-enoate?
The canonical SMILES for methyl (E)-5-nitrosopent-2-enoate is COC(=O)/C=C/CCN=O.
What is the InChIKey of methyl (E)-5-nitrosopent-2-enoate?
The InChIKey is IMPVNPOWXROSSD-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H9NO3/c1-10-6(8)4-2-3-5-7-9/h2,4H,3,5H2,1H3/b4-2+.
What are the key properties of methyl (E)-5-nitrosopent-2-enoate?
methyl (E)-5-nitrosopent-2-enoate has a molecular weight of 143.14 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-nitrosopent-2-enoate is sourced from PubChem (CID 163651489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).