N-(prop-2-enylcarbamoyl)but-3-enamide

C8H12N2O2 — CID 87949156

IUPACN-(prop-2-enylcarbamoyl)but-3-enamide
SMILESC=CCNC(=O)NC(=O)CC=C
InChIInChI=1S/C8H12N2O2/c1-3-5-7(11)10-8(12)9-6-4-2/h3-4H,1-2,5-6H2,(H2,9,10,11,12)
InChIKeyGVVNFWMVIIYDJC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.57
Rot. Bonds4

About N-(prop-2-enylcarbamoyl)but-3-enamide

N-(prop-2-enylcarbamoyl)but-3-enamide (PubChem CID 87949156) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(prop-2-enylcarbamoyl)but-3-enamide.

Molecular Properties

Compound NameN-(prop-2-enylcarbamoyl)but-3-enamide
PubChem CID87949156
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(prop-2-enylcarbamoyl)but-3-enamide
SMILESC=CCNC(=O)NC(=O)CC=C
InChIInChI=1S/C8H12N2O2/c1-3-5-7(11)10-8(12)9-6-4-2/h3-4H,1-2,5-6H2,(H2,9,10,11,12)
InChIKeyGVVNFWMVIIYDJC-UHFFFAOYSA-N
XLogP0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl(113C)but-3-enamide
CID 173349564
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide
CID 71671954
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]propanoic acid
CID 43466816
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide
CID 115659453
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 8006187
2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide
CID 7492415
1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 63768899

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylcarbamoyl)but-3-enamide?
The IUPAC name of N-(prop-2-enylcarbamoyl)but-3-enamide (CID 87949156) is N-(prop-2-enylcarbamoyl)but-3-enamide.
What is the SMILES notation for N-(prop-2-enylcarbamoyl)but-3-enamide?
The canonical SMILES for N-(prop-2-enylcarbamoyl)but-3-enamide is C=CCNC(=O)NC(=O)CC=C.
What is the InChIKey of N-(prop-2-enylcarbamoyl)but-3-enamide?
The InChIKey is GVVNFWMVIIYDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-5-7(11)10-8(12)9-6-4-2/h3-4H,1-2,5-6H2,(H2,9,10,11,12).
What are the key properties of N-(prop-2-enylcarbamoyl)but-3-enamide?
N-(prop-2-enylcarbamoyl)but-3-enamide has a molecular weight of 168.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylcarbamoyl)but-3-enamide is sourced from PubChem (CID 87949156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).