methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate

C10H17NO3 — CID 10559916

IUPACmethyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate
SMILESC=CCCCC(C(=O)OC)/C(C)=N/O
InChIInChI=1S/C10H17NO3/c1-4-5-6-7-9(8(2)11-13)10(12)14-3/h4,9,13H,1,5-7H2,2-3H3/b11-8+
InChIKeyGHCOQCHDXJGRII-DHZHZOJOSA-N
MW199.25 g/mol
LogP1.98
Rot. Bonds6

About methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate

methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate (PubChem CID 10559916) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate.

Molecular Properties

Compound Namemethyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate
PubChem CID10559916
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate
SMILESC=CCCCC(C(=O)OC)/C(C)=N/O
InChIInChI=1S/C10H17NO3/c1-4-5-6-7-9(8(2)11-13)10(12)14-3/h4,9,13H,1,5-7H2,2-3H3/b11-8+
InChIKeyGHCOQCHDXJGRII-DHZHZOJOSA-N
XLogP1.98
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate?
The IUPAC name of methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate (CID 10559916) is methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate.
What is the SMILES notation for methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate?
The canonical SMILES for methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate is C=CCCCC(C(=O)OC)/C(C)=N/O.
What is the InChIKey of methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate?
The InChIKey is GHCOQCHDXJGRII-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-6-7-9(8(2)11-13)10(12)14-3/h4,9,13H,1,5-7H2,2-3H3/b11-8+.
What are the key properties of methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate?
methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate has a molecular weight of 199.25 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]hept-6-enoate is sourced from PubChem (CID 10559916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).