3-(2-propanoylhydrazinyl)propanamide

C6H13N3O2 — CID 87780828

IUPAC3-(2-propanoylhydrazinyl)propanamide
SMILESCCC(=O)NNCCC(N)=O
InChIInChI=1S/C6H13N3O2/c1-2-6(11)9-8-4-3-5(7)10/h8H,2-4H2,1H3,(H2,7,10)(H,9,11)
InChIKeyLQWIUERKSXMKQK-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.11
Rot. Bonds5

About 3-(2-propanoylhydrazinyl)propanamide

3-(2-propanoylhydrazinyl)propanamide (PubChem CID 87780828) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-(2-propanoylhydrazinyl)propanamide.

Molecular Properties

Compound Name3-(2-propanoylhydrazinyl)propanamide
PubChem CID87780828
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name3-(2-propanoylhydrazinyl)propanamide
SMILESCCC(=O)NNCCC(N)=O
InChIInChI=1S/C6H13N3O2/c1-2-6(11)9-8-4-3-5(7)10/h8H,2-4H2,1H3,(H2,7,10)(H,9,11)
InChIKeyLQWIUERKSXMKQK-UHFFFAOYSA-N
XLogP-1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-(2-propanoylhydrazinyl)propanamide?
The IUPAC name of 3-(2-propanoylhydrazinyl)propanamide (CID 87780828) is 3-(2-propanoylhydrazinyl)propanamide.
What is the SMILES notation for 3-(2-propanoylhydrazinyl)propanamide?
The canonical SMILES for 3-(2-propanoylhydrazinyl)propanamide is CCC(=O)NNCCC(N)=O.
What is the InChIKey of 3-(2-propanoylhydrazinyl)propanamide?
The InChIKey is LQWIUERKSXMKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-6(11)9-8-4-3-5(7)10/h8H,2-4H2,1H3,(H2,7,10)(H,9,11).
What are the key properties of 3-(2-propanoylhydrazinyl)propanamide?
3-(2-propanoylhydrazinyl)propanamide has a molecular weight of 159.19 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propanoylhydrazinyl)propanamide is sourced from PubChem (CID 87780828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).