2-aminopyrazolidin-3-one

C3H7N3O — CID 126580853

IUPAC2-aminopyrazolidin-3-one
SMILESNN1NCCC1=O
InChIInChI=1S/C3H7N3O/c4-6-3(7)1-2-5-6/h5H,1-2,4H2
InChIKeyKHHWZXCPAQDNTB-UHFFFAOYSA-N
MW101.11 g/mol
LogP-1.40
Rot. Bonds

About 2-aminopyrazolidin-3-one

2-aminopyrazolidin-3-one (PubChem CID 126580853) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is 2-aminopyrazolidin-3-one.

Molecular Properties

Compound Name2-aminopyrazolidin-3-one
PubChem CID126580853
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name2-aminopyrazolidin-3-one
SMILESNN1NCCC1=O
InChIInChI=1S/C3H7N3O/c4-6-3(7)1-2-5-6/h5H,1-2,4H2
InChIKeyKHHWZXCPAQDNTB-UHFFFAOYSA-N
XLogP-1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyrazolidin-3-one?
The IUPAC name of 2-aminopyrazolidin-3-one (CID 126580853) is 2-aminopyrazolidin-3-one.
What is the SMILES notation for 2-aminopyrazolidin-3-one?
The canonical SMILES for 2-aminopyrazolidin-3-one is NN1NCCC1=O.
What is the InChIKey of 2-aminopyrazolidin-3-one?
The InChIKey is KHHWZXCPAQDNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O/c4-6-3(7)1-2-5-6/h5H,1-2,4H2.
What are the key properties of 2-aminopyrazolidin-3-one?
2-aminopyrazolidin-3-one has a molecular weight of 101.11 g/mol, XLogP of -1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrazolidin-3-one is sourced from PubChem (CID 126580853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).