2-(3-aminopyrrolidin-1-yl)propanehydrazide

C7H16N4O — CID 63571645

IUPAC2-(3-aminopyrrolidin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCC(N)C1
InChIInChI=1S/C7H16N4O/c1-5(7(12)10-9)11-3-2-6(8)4-11/h5-6H,2-4,8-9H2,1H3,(H,10,12)
InChIKeyZOAUACUQCCPLJA-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.60
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)propanehydrazide

2-(3-aminopyrrolidin-1-yl)propanehydrazide (PubChem CID 63571645) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)propanehydrazide
PubChem CID63571645
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name2-(3-aminopyrrolidin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCC(N)C1
InChIInChI=1S/C7H16N4O/c1-5(7(12)10-9)11-3-2-6(8)4-11/h5-6H,2-4,8-9H2,1H3,(H,10,12)
InChIKeyZOAUACUQCCPLJA-UHFFFAOYSA-N
XLogP-1.60
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-aminopyrrolidin-1-yl)propanehydrazide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)propanehydrazide (CID 63571645) is 2-(3-aminopyrrolidin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)propanehydrazide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)propanehydrazide is CC(C(=O)NN)N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)propanehydrazide?
The InChIKey is ZOAUACUQCCPLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-5(7(12)10-9)11-3-2-6(8)4-11/h5-6H,2-4,8-9H2,1H3,(H,10,12).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)propanehydrazide?
2-(3-aminopyrrolidin-1-yl)propanehydrazide has a molecular weight of 172.23 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)propanehydrazide is sourced from PubChem (CID 63571645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).