2-prop-2-enylpropanediamide

C6H10N2O2 — CID 11105466

IUPAC2-prop-2-enylpropanediamide
SMILESC=CCC(C(N)=O)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-2-3-4(5(7)9)6(8)10/h2,4H,1,3H2,(H2,7,9)(H2,8,10)
InChIKeyNYOYIINCALNYQQ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.85
Rot. Bonds4

About 2-prop-2-enylpropanediamide

2-prop-2-enylpropanediamide (PubChem CID 11105466) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-prop-2-enylpropanediamide.

Molecular Properties

Compound Name2-prop-2-enylpropanediamide
PubChem CID11105466
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-prop-2-enylpropanediamide
SMILESC=CCC(C(N)=O)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-2-3-4(5(7)9)6(8)10/h2,4H,1,3H2,(H2,7,9)(H2,8,10)
InChIKeyNYOYIINCALNYQQ-UHFFFAOYSA-N
XLogP-0.85
TPSA86.18 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 ≤ 5-0.85
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpropanediamide?
The IUPAC name of 2-prop-2-enylpropanediamide (CID 11105466) is 2-prop-2-enylpropanediamide.
What is the SMILES notation for 2-prop-2-enylpropanediamide?
The canonical SMILES for 2-prop-2-enylpropanediamide is C=CCC(C(N)=O)C(N)=O.
What is the InChIKey of 2-prop-2-enylpropanediamide?
The InChIKey is NYOYIINCALNYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-3-4(5(7)9)6(8)10/h2,4H,1,3H2,(H2,7,9)(H2,8,10).
What are the key properties of 2-prop-2-enylpropanediamide?
2-prop-2-enylpropanediamide has a molecular weight of 142.16 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpropanediamide is sourced from PubChem (CID 11105466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).