carbamic acid;N-cyclobutylidenehydroxylamine

C5H10N2O3 — CID 158489173

IUPACcarbamic acid;N-cyclobutylidenehydroxylamine
SMILESNC(=O)O.ON=C1CCC1
InChIInChI=1S/C4H7NO.CH3NO2/c6-5-4-2-1-3-4;2-1(3)4/h6H,1-3H2;2H2,(H,3,4)
InChIKeyHIMFDMSUMYIUFP-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.62
Rot. Bonds

About carbamic acid;N-cyclobutylidenehydroxylamine

carbamic acid;N-cyclobutylidenehydroxylamine (PubChem CID 158489173) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is carbamic acid;N-cyclobutylidenehydroxylamine.

Molecular Properties

Compound Namecarbamic acid;N-cyclobutylidenehydroxylamine
PubChem CID158489173
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Namecarbamic acid;N-cyclobutylidenehydroxylamine
SMILESNC(=O)O.ON=C1CCC1
InChIInChI=1S/C4H7NO.CH3NO2/c6-5-4-2-1-3-4;2-1(3)4/h6H,1-3H2;2H2,(H,3,4)
InChIKeyHIMFDMSUMYIUFP-UHFFFAOYSA-N
XLogP0.62
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 carbamic acid;N-cyclobutylidenehydroxylamine?
The IUPAC name of carbamic acid;N-cyclobutylidenehydroxylamine (CID 158489173) is carbamic acid;N-cyclobutylidenehydroxylamine.
What is the SMILES notation for carbamic acid;N-cyclobutylidenehydroxylamine?
The canonical SMILES for carbamic acid;N-cyclobutylidenehydroxylamine is NC(=O)O.ON=C1CCC1.
What is the InChIKey of carbamic acid;N-cyclobutylidenehydroxylamine?
The InChIKey is HIMFDMSUMYIUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.CH3NO2/c6-5-4-2-1-3-4;2-1(3)4/h6H,1-3H2;2H2,(H,3,4).
What are the key properties of carbamic acid;N-cyclobutylidenehydroxylamine?
carbamic acid;N-cyclobutylidenehydroxylamine has a molecular weight of 146.15 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;N-cyclobutylidenehydroxylamine is sourced from PubChem (CID 158489173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).