3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide

C11H19N3O2 — CID 536576

IUPAC3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(C)=NNC(=O)C(C)C
InChIInChI=1S/C11H19N3O2/c1-5-6-12-10(15)7-9(4)13-14-11(16)8(2)3/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,14,16)
InChIKeyRTNOQJZXYDLERW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.83
Rot. Bonds6

About 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide

3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide (PubChem CID 536576) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide
PubChem CID536576
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(C)=NNC(=O)C(C)C
InChIInChI=1S/C11H19N3O2/c1-5-6-12-10(15)7-9(4)13-14-11(16)8(2)3/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,14,16)
InChIKeyRTNOQJZXYDLERW-UHFFFAOYSA-N
XLogP0.83
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide?
The IUPAC name of 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide (CID 536576) is 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide?
The canonical SMILES for 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide is C=CCNC(=O)CC(C)=NNC(=O)C(C)C.
What is the InChIKey of 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide?
The InChIKey is RTNOQJZXYDLERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-6-12-10(15)7-9(4)13-14-11(16)8(2)3/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,14,16).
What are the key properties of 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide?
3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide has a molecular weight of 225.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide is sourced from PubChem (CID 536576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).