[(E)-1-methoxypropan-2-ylideneamino]carbamic acid

C5H10N2O3 — CID 137358837

IUPAC[(E)-1-methoxypropan-2-ylideneamino]carbamic acid
SMILESCOC/C(C)=N/NC(=O)O
InChIInChI=1S/C5H10N2O3/c1-4(3-10-2)6-7-5(8)9/h7H,3H2,1-2H3,(H,8,9)/b6-4+
InChIKeyQYBSHALIRBSHRY-GQCTYLIASA-N
MW146.15 g/mol
LogP0.28
Rot. Bonds3

About [(E)-1-methoxypropan-2-ylideneamino]carbamic acid

[(E)-1-methoxypropan-2-ylideneamino]carbamic acid (PubChem CID 137358837) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is [(E)-1-methoxypropan-2-ylideneamino]carbamic acid.

Molecular Properties

Compound Name[(E)-1-methoxypropan-2-ylideneamino]carbamic acid
PubChem CID137358837
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name[(E)-1-methoxypropan-2-ylideneamino]carbamic acid
SMILESCOC/C(C)=N/NC(=O)O
InChIInChI=1S/C5H10N2O3/c1-4(3-10-2)6-7-5(8)9/h7H,3H2,1-2H3,(H,8,9)/b6-4+
InChIKeyQYBSHALIRBSHRY-GQCTYLIASA-N
XLogP0.28
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [(E)-1-methoxypropan-2-ylideneamino]carbamic acid?
The IUPAC name of [(E)-1-methoxypropan-2-ylideneamino]carbamic acid (CID 137358837) is [(E)-1-methoxypropan-2-ylideneamino]carbamic acid.
What is the SMILES notation for [(E)-1-methoxypropan-2-ylideneamino]carbamic acid?
The canonical SMILES for [(E)-1-methoxypropan-2-ylideneamino]carbamic acid is COC/C(C)=N/NC(=O)O.
What is the InChIKey of [(E)-1-methoxypropan-2-ylideneamino]carbamic acid?
The InChIKey is QYBSHALIRBSHRY-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2O3/c1-4(3-10-2)6-7-5(8)9/h7H,3H2,1-2H3,(H,8,9)/b6-4+.
What are the key properties of [(E)-1-methoxypropan-2-ylideneamino]carbamic acid?
[(E)-1-methoxypropan-2-ylideneamino]carbamic acid has a molecular weight of 146.15 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-methoxypropan-2-ylideneamino]carbamic acid is sourced from PubChem (CID 137358837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).