ethane;N-[(E)-methoxyiminomethyl]formamide

C5H12N2O2 — CID 144535993

IUPACethane;N-[(E)-methoxyiminomethyl]formamide
SMILESCC.CO/N=C/NC=O
InChIInChI=1S/C3H6N2O2.C2H6/c1-7-5-2-4-3-6;1-2/h2-3H,1H3,(H,4,5,6);1-2H3
InChIKeyFMOBOQJPMNBWIP-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.35
Rot. Bonds3

About ethane;N-[(E)-methoxyiminomethyl]formamide

ethane;N-[(E)-methoxyiminomethyl]formamide (PubChem CID 144535993) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is ethane;N-[(E)-methoxyiminomethyl]formamide.

Molecular Properties

Compound Nameethane;N-[(E)-methoxyiminomethyl]formamide
PubChem CID144535993
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameethane;N-[(E)-methoxyiminomethyl]formamide
SMILESCC.CO/N=C/NC=O
InChIInChI=1S/C3H6N2O2.C2H6/c1-7-5-2-4-3-6;1-2/h2-3H,1H3,(H,4,5,6);1-2H3
InChIKeyFMOBOQJPMNBWIP-UHFFFAOYSA-N
XLogP0.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-methoxyiminomethyl]formamide?
The IUPAC name of ethane;N-[(E)-methoxyiminomethyl]formamide (CID 144535993) is ethane;N-[(E)-methoxyiminomethyl]formamide.
What is the SMILES notation for ethane;N-[(E)-methoxyiminomethyl]formamide?
The canonical SMILES for ethane;N-[(E)-methoxyiminomethyl]formamide is CC.CO/N=C/NC=O.
What is the InChIKey of ethane;N-[(E)-methoxyiminomethyl]formamide?
The InChIKey is FMOBOQJPMNBWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2.C2H6/c1-7-5-2-4-3-6;1-2/h2-3H,1H3,(H,4,5,6);1-2H3.
What are the key properties of ethane;N-[(E)-methoxyiminomethyl]formamide?
ethane;N-[(E)-methoxyiminomethyl]formamide has a molecular weight of 132.16 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-methoxyiminomethyl]formamide is sourced from PubChem (CID 144535993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).