N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide

C8H13NO2 — CID 19738541

IUPACN-(1-oxopropan-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)C(C)C=O
InChIInChI=1S/C8H13NO2/c1-4-5-9(8(3)11)7(2)6-10/h4,6-7H,1,5H2,2-3H3
InChIKeyVOPBIRDITSCOTM-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds4

About N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide

N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide (PubChem CID 19738541) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(1-oxopropan-2-yl)-N-prop-2-enylacetamide
PubChem CID19738541
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(1-oxopropan-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)C(C)C=O
InChIInChI=1S/C8H13NO2/c1-4-5-9(8(3)11)7(2)6-10/h4,6-7H,1,5H2,2-3H3
InChIKeyVOPBIRDITSCOTM-UHFFFAOYSA-N
XLogP0.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide (CID 19738541) is N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide is C=CCN(C(C)=O)C(C)C=O.
What is the InChIKey of N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide?
The InChIKey is VOPBIRDITSCOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-5-9(8(3)11)7(2)6-10/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide?
N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide has a molecular weight of 155.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 19738541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).