N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide

C7H13N3O2 — CID 2729299

IUPACN-(2-hydrazinyl-2-oxoethyl)pent-3-enamide
SMILESCC=CCC(=O)NCC(=O)NN
InChIInChI=1S/C7H13N3O2/c1-2-3-4-6(11)9-5-7(12)10-8/h2-3H,4-5,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyHGHRERDROLDDHG-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.94
Rot. Bonds4

About N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide

N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide (PubChem CID 2729299) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)pent-3-enamide
PubChem CID2729299
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)pent-3-enamide
SMILESCC=CCC(=O)NCC(=O)NN
InChIInChI=1S/C7H13N3O2/c1-2-3-4-6(11)9-5-7(12)10-8/h2-3H,4-5,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyHGHRERDROLDDHG-UHFFFAOYSA-N
XLogP-0.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide (CID 2729299) is N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide is CC=CCC(=O)NCC(=O)NN.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide?
The InChIKey is HGHRERDROLDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-2-3-4-6(11)9-5-7(12)10-8/h2-3H,4-5,8H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide?
N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide has a molecular weight of 171.20 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)pent-3-enamide is sourced from PubChem (CID 2729299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).