CID 164668080

C2H4NO — CID 164668080

IUPAC—
SMILESC/C=N/[O]
InChIInChI=1S/C2H4NO/c1-2-3-4/h2H,1H3/b3-2+
InChIKeyQQMYOCVQAUYJMJ-NSCUHMNNSA-N
MW58.06 g/mol
LogP0.42
Rot. Bonds

About CID 164668080

CID 164668080 (PubChem CID 164668080) has the molecular formula C2H4NO and a molecular weight of 58.06 g/mol.

Molecular Properties

Compound NameCID 164668080
PubChem CID164668080
Molecular FormulaC2H4NO
Molecular Weight58.06 g/mol
Exact Mass58.03
IUPAC Name—
SMILESC/C=N/[O]
InChIInChI=1S/C2H4NO/c1-2-3-4/h2H,1H3/b3-2+
InChIKeyQQMYOCVQAUYJMJ-NSCUHMNNSA-N
XLogP0.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.06
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', '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 CID 164668080?
The IUPAC name of CID 164668080 (CID 164668080) is not available.
What is the SMILES notation for CID 164668080?
The canonical SMILES for CID 164668080 is C/C=N/[O].
What is the InChIKey of CID 164668080?
The InChIKey is QQMYOCVQAUYJMJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C2H4NO/c1-2-3-4/h2H,1H3/b3-2+.
What are the key properties of CID 164668080?
CID 164668080 has a molecular weight of 58.06 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164668080 is sourced from PubChem (CID 164668080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).