2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one

C7H11NO2 — CID 88931996

IUPAC2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one
SMILESCC(C)NC1=C(O)C(=O)C1
InChIInChI=1S/C7H11NO2/c1-4(2)8-5-3-6(9)7(5)10/h4,8,10H,3H2,1-2H3
InChIKeyRPYKUTARZKEUFK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.73
Rot. Bonds2

About 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one

2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one (PubChem CID 88931996) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one
PubChem CID88931996
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one
SMILESCC(C)NC1=C(O)C(=O)C1
InChIInChI=1S/C7H11NO2/c1-4(2)8-5-3-6(9)7(5)10/h4,8,10H,3H2,1-2H3
InChIKeyRPYKUTARZKEUFK-UHFFFAOYSA-N
XLogP0.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one?
The IUPAC name of 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one (CID 88931996) is 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one?
The canonical SMILES for 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one is CC(C)NC1=C(O)C(=O)C1.
What is the InChIKey of 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one?
The InChIKey is RPYKUTARZKEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(2)8-5-3-6(9)7(5)10/h4,8,10H,3H2,1-2H3.
What are the key properties of 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one?
2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one has a molecular weight of 141.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(propan-2-ylamino)cyclobut-2-en-1-one is sourced from PubChem (CID 88931996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).