1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one

C11H15NOS — CID 116589779

IUPAC1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one
SMILESC=CCNCC(=O)CCc1cccs1
InChIInChI=1S/C11H15NOS/c1-2-7-12-9-10(13)5-6-11-4-3-8-14-11/h2-4,8,12H,1,5-7,9H2
InChIKeyFFKSTFAWUPUOIM-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.03
Rot. Bonds7

About 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one

1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one (PubChem CID 116589779) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one
PubChem CID116589779
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one
SMILESC=CCNCC(=O)CCc1cccs1
InChIInChI=1S/C11H15NOS/c1-2-7-12-9-10(13)5-6-11-4-3-8-14-11/h2-4,8,12H,1,5-7,9H2
InChIKeyFFKSTFAWUPUOIM-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.03
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

2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
CID 79275664
N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 4573039
1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
CID 116559062
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
4-(2-methylpyrazol-3-yl)-1-(prop-2-enylamino)butan-2-one
CID 103023911
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
3-[[2-(prop-2-enylamino)acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 79285583
N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62583502
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
CID 116574838

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one (CID 116589779) is 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one is C=CCNCC(=O)CCc1cccs1.
What is the InChIKey of 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one?
The InChIKey is FFKSTFAWUPUOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-7-12-9-10(13)5-6-11-4-3-8-14-11/h2-4,8,12H,1,5-7,9H2.
What are the key properties of 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one?
1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one has a molecular weight of 209.31 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 116589779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).