N',N'-bis(prop-2-enyl)but-3-enehydrazide

C10H16N2O — CID 173255732

IUPACN',N'-bis(prop-2-enyl)but-3-enehydrazide
SMILESC=CCC(=O)NN(CC=C)CC=C
InChIInChI=1S/C10H16N2O/c1-4-7-10(13)11-12(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H,11,13)
InChIKeyMCJQKJOSFRVCIM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.27
Rot. Bonds7

About N',N'-bis(prop-2-enyl)but-3-enehydrazide

N',N'-bis(prop-2-enyl)but-3-enehydrazide (PubChem CID 173255732) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N',N'-bis(prop-2-enyl)but-3-enehydrazide.

Molecular Properties

Compound NameN',N'-bis(prop-2-enyl)but-3-enehydrazide
PubChem CID173255732
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN',N'-bis(prop-2-enyl)but-3-enehydrazide
SMILESC=CCC(=O)NN(CC=C)CC=C
InChIInChI=1S/C10H16N2O/c1-4-7-10(13)11-12(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H,11,13)
InChIKeyMCJQKJOSFRVCIM-UHFFFAOYSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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',N'-bis(prop-2-enyl)but-3-enehydrazide?
The IUPAC name of N',N'-bis(prop-2-enyl)but-3-enehydrazide (CID 173255732) is N',N'-bis(prop-2-enyl)but-3-enehydrazide.
What is the SMILES notation for N',N'-bis(prop-2-enyl)but-3-enehydrazide?
The canonical SMILES for N',N'-bis(prop-2-enyl)but-3-enehydrazide is C=CCC(=O)NN(CC=C)CC=C.
What is the InChIKey of N',N'-bis(prop-2-enyl)but-3-enehydrazide?
The InChIKey is MCJQKJOSFRVCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-7-10(13)11-12(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H,11,13).
What are the key properties of N',N'-bis(prop-2-enyl)but-3-enehydrazide?
N',N'-bis(prop-2-enyl)but-3-enehydrazide has a molecular weight of 180.25 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(prop-2-enyl)but-3-enehydrazide is sourced from PubChem (CID 173255732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).