aminomethanol;cyclobutane

C5H13NO — CID 67877288

IUPACaminomethanol;cyclobutane
SMILESC1CCC1.NCO
InChIInChI=1S/C4H8.CH5NO/c1-2-4-3-1;2-1-3/h1-4H2;3H,1-2H2
InChIKeyFKQJLAXXYIDTTE-UHFFFAOYSA-N
MW103.17 g/mol
LogP0.46
Rot. Bonds

About aminomethanol;cyclobutane

aminomethanol;cyclobutane (PubChem CID 67877288) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is aminomethanol;cyclobutane.

Molecular Properties

Compound Nameaminomethanol;cyclobutane
PubChem CID67877288
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Nameaminomethanol;cyclobutane
SMILESC1CCC1.NCO
InChIInChI=1S/C4H8.CH5NO/c1-2-4-3-1;2-1-3/h1-4H2;3H,1-2H2
InChIKeyFKQJLAXXYIDTTE-UHFFFAOYSA-N
XLogP0.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminomethanol;cyclobutane?
The IUPAC name of aminomethanol;cyclobutane (CID 67877288) is aminomethanol;cyclobutane.
What is the SMILES notation for aminomethanol;cyclobutane?
The canonical SMILES for aminomethanol;cyclobutane is C1CCC1.NCO.
What is the InChIKey of aminomethanol;cyclobutane?
The InChIKey is FKQJLAXXYIDTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.CH5NO/c1-2-4-3-1;2-1-3/h1-4H2;3H,1-2H2.
What are the key properties of aminomethanol;cyclobutane?
aminomethanol;cyclobutane has a molecular weight of 103.17 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethanol;cyclobutane is sourced from PubChem (CID 67877288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).