N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide

C10H14FN3O2 — CID 137427222

IUPACN'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide
SMILESC=C/C=C\C(CNC(=O)C(=O)NCF)=N/C
InChIInChI=1S/C10H14FN3O2/c1-3-4-5-8(12-2)6-13-9(15)10(16)14-7-11/h3-5H,1,6-7H2,2H3,(H,13,15)(H,14,16)/b5-4-,12-8+
InChIKeyDGWXUJHTUKZPHS-KVIXIMHDSA-N
MW227.24 g/mol
LogP-0.04
Rot. Bonds5

About N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide

N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide (PubChem CID 137427222) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide.

Molecular Properties

Compound NameN'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide
PubChem CID137427222
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC NameN'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide
SMILESC=C/C=C\C(CNC(=O)C(=O)NCF)=N/C
InChIInChI=1S/C10H14FN3O2/c1-3-4-5-8(12-2)6-13-9(15)10(16)14-7-11/h3-5H,1,6-7H2,2H3,(H,13,15)(H,14,16)/b5-4-,12-8+
InChIKeyDGWXUJHTUKZPHS-KVIXIMHDSA-N
XLogP-0.04
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide?
The IUPAC name of N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide (CID 137427222) is N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide.
What is the SMILES notation for N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide?
The canonical SMILES for N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide is C=C/C=C\C(CNC(=O)C(=O)NCF)=N/C.
What is the InChIKey of N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide?
The InChIKey is DGWXUJHTUKZPHS-KVIXIMHDSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-3-4-5-8(12-2)6-13-9(15)10(16)14-7-11/h3-5H,1,6-7H2,2H3,(H,13,15)(H,14,16)/b5-4-,12-8+.
What are the key properties of N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide?
N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide has a molecular weight of 227.24 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(fluoromethyl)-N-[(3Z)-2-methyliminohexa-3,5-dienyl]oxamide is sourced from PubChem (CID 137427222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).