ethyl (114C)methanimidate

C3H7NO — CID 12578843

IUPACethyl (114C)methanimidate
SMILES[H]/N=[14CH]/OCC
InChIInChI=1S/C3H7NO/c1-2-5-3-4/h3-4H,2H2,1H3/b4-3+/i3+2
InChIKeyHEZYPWDHDAPLSB-MZXGNVAJSA-N
MW75.09 g/mol
LogP0.63
Rot. Bonds2

About ethyl (114C)methanimidate

ethyl (114C)methanimidate (PubChem CID 12578843) has the molecular formula C3H7NO and a molecular weight of 75.09 g/mol. Its IUPAC name is ethyl (114C)methanimidate.

Molecular Properties

Compound Nameethyl (114C)methanimidate
PubChem CID12578843
Molecular FormulaC3H7NO
Molecular Weight75.09 g/mol
Exact Mass75.06
IUPAC Nameethyl (114C)methanimidate
SMILES[H]/N=[14CH]/OCC
InChIInChI=1S/C3H7NO/c1-2-5-3-4/h3-4H,2H2,1H3/b4-3+/i3+2
InChIKeyHEZYPWDHDAPLSB-MZXGNVAJSA-N
XLogP0.63
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.09
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (114C)methanimidate?
The IUPAC name of ethyl (114C)methanimidate (CID 12578843) is ethyl (114C)methanimidate.
What is the SMILES notation for ethyl (114C)methanimidate?
The canonical SMILES for ethyl (114C)methanimidate is [H]/N=[14CH]/OCC.
What is the InChIKey of ethyl (114C)methanimidate?
The InChIKey is HEZYPWDHDAPLSB-MZXGNVAJSA-N. The full InChI is InChI=1S/C3H7NO/c1-2-5-3-4/h3-4H,2H2,1H3/b4-3+/i3+2.
What are the key properties of ethyl (114C)methanimidate?
ethyl (114C)methanimidate has a molecular weight of 75.09 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (114C)methanimidate is sourced from PubChem (CID 12578843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).