2-pyrrolidin-1-ylacetohydrazide

C6H13N3O — CID 3270682

IUPAC2-pyrrolidin-1-ylacetohydrazide
SMILESNNC(=O)CN1CCCC1
InChIInChI=1S/C6H13N3O/c7-8-6(10)5-9-3-1-2-4-9/h1-5,7H2,(H,8,10)
InChIKeyJPNSPJDRFUHSRZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.93
Rot. Bonds2

About 2-pyrrolidin-1-ylacetohydrazide

2-pyrrolidin-1-ylacetohydrazide (PubChem CID 3270682) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylacetohydrazide.

Molecular Properties

Compound Name2-pyrrolidin-1-ylacetohydrazide
PubChem CID3270682
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-pyrrolidin-1-ylacetohydrazide
SMILESNNC(=O)CN1CCCC1
InChIInChI=1S/C6H13N3O/c7-8-6(10)5-9-3-1-2-4-9/h1-5,7H2,(H,8,10)
InChIKeyJPNSPJDRFUHSRZ-UHFFFAOYSA-N
XLogP-0.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.93
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylacetohydrazide?
The IUPAC name of 2-pyrrolidin-1-ylacetohydrazide (CID 3270682) is 2-pyrrolidin-1-ylacetohydrazide.
What is the SMILES notation for 2-pyrrolidin-1-ylacetohydrazide?
The canonical SMILES for 2-pyrrolidin-1-ylacetohydrazide is NNC(=O)CN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylacetohydrazide?
The InChIKey is JPNSPJDRFUHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-8-6(10)5-9-3-1-2-4-9/h1-5,7H2,(H,8,10).
What are the key properties of 2-pyrrolidin-1-ylacetohydrazide?
2-pyrrolidin-1-ylacetohydrazide has a molecular weight of 143.19 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylacetohydrazide is sourced from PubChem (CID 3270682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).