3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one

C10H13NOS — CID 70416051

IUPAC3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one
SMILESC=CCNCCC(=O)c1cccs1
InChIInChI=1S/C10H13NOS/c1-2-6-11-7-5-9(12)10-4-3-8-13-10/h2-4,8,11H,1,5-7H2
InChIKeyKDXBRGPMOXXUKE-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.10
Rot. Bonds6

About 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one

3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one (PubChem CID 70416051) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one
PubChem CID70416051
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one
SMILESC=CCNCCC(=O)c1cccs1
InChIInChI=1S/C10H13NOS/c1-2-6-11-7-5-9(12)10-4-3-8-13-10/h2-4,8,11H,1,5-7H2
InChIKeyKDXBRGPMOXXUKE-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Propanone, 3-(1-pyrrolidinyl)-1-(2-thienyl)-
CID 224019
N-cyclohexylthiophene-2-carboxamide
CID 855035
2-Thiothinone
CID 12198617
3-(Dimethylamino)-1-(2-thienyl)-1-propanone
CID 408257
N-cycloheptylthiophene-2-carboxamide
CID 2057917
2-(Tert-butylamino)-1-(thiophen-2-yl)propan-1-one
CID 44542955
1-(5-Iodothiophen-2-yl)-3-[2-[2-[[3-(5-iodothiophen-2-yl)-3-oxopropyl]amino]ethyldisulfanyl]ethylamino]propan-1-one
CID 52921246
gamma-(2-Aminoethylamino)-2-butryothienone
CID 126103
3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
CID 2876891
N-[(5-Acetyl-2-thienyl)methyl]acetamide
CID 7131592
3-[2-[2-[(3-Oxo-3-thiophen-2-ylpropyl)amino]ethyldisulfanyl]ethylamino]-1-thiophen-2-ylpropan-1-one
CID 53318693
3-[Bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231874

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one (CID 70416051) is 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one is C=CCNCCC(=O)c1cccs1.
What is the InChIKey of 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is KDXBRGPMOXXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-6-11-7-5-9(12)10-4-3-8-13-10/h2-4,8,11H,1,5-7H2.
What are the key properties of 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one?
3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 195.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 70416051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).