N'-prop-2-enylpropanediamide

C6H10N2O2 — CID 14686249

IUPACN'-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(N)=O
InChIInChI=1S/C6H10N2O2/c1-2-3-8-6(10)4-5(7)9/h2H,1,3-4H2,(H2,7,9)(H,8,10)
InChIKeyGPZPBTBKAYSMFW-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.84
Rot. Bonds4

About N'-prop-2-enylpropanediamide

N'-prop-2-enylpropanediamide (PubChem CID 14686249) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N'-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN'-prop-2-enylpropanediamide
PubChem CID14686249
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN'-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(N)=O
InChIInChI=1S/C6H10N2O2/c1-2-3-8-6(10)4-5(7)9/h2H,1,3-4H2,(H2,7,9)(H,8,10)
InChIKeyGPZPBTBKAYSMFW-UHFFFAOYSA-N
XLogP-0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-prop-2-enylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enylpropanediamide?
The IUPAC name of N'-prop-2-enylpropanediamide (CID 14686249) is N'-prop-2-enylpropanediamide.
What is the SMILES notation for N'-prop-2-enylpropanediamide?
The canonical SMILES for N'-prop-2-enylpropanediamide is C=CCNC(=O)CC(N)=O.
What is the InChIKey of N'-prop-2-enylpropanediamide?
The InChIKey is GPZPBTBKAYSMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-3-8-6(10)4-5(7)9/h2H,1,3-4H2,(H2,7,9)(H,8,10).
What are the key properties of N'-prop-2-enylpropanediamide?
N'-prop-2-enylpropanediamide has a molecular weight of 142.16 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enylpropanediamide is sourced from PubChem (CID 14686249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).