2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide

C10H16N2O2 — CID 87806651

IUPAC2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC=C)C(C)=O
InChIInChI=1S/C10H16N2O2/c1-4-6-11-10(14)8-12(7-5-2)9(3)13/h4-5H,1-2,6-8H2,3H3,(H,11,14)
InChIKeyBGSBUJWQKHAGLX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.32
Rot. Bonds6

About 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide

2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide (PubChem CID 87806651) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide
PubChem CID87806651
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC=C)C(C)=O
InChIInChI=1S/C10H16N2O2/c1-4-6-11-10(14)8-12(7-5-2)9(3)13/h4-5H,1-2,6-8H2,3H3,(H,11,14)
InChIKeyBGSBUJWQKHAGLX-UHFFFAOYSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide (CID 87806651) is 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(CC=C)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide?
The InChIKey is BGSBUJWQKHAGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-11-10(14)8-12(7-5-2)9(3)13/h4-5H,1-2,6-8H2,3H3,(H,11,14).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide?
2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 87806651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).