1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone

C10H13NOS — CID 170486563

IUPAC1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C=CCCN)cs1
InChIInChI=1S/C10H13NOS/c1-8(12)10-6-9(7-13-10)4-2-3-5-11/h2,4,6-7H,3,5,11H2,1H3
InChIKeyUHRLOFPKUQMUOX-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone

1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone (PubChem CID 170486563) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone
PubChem CID170486563
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C=CCCN)cs1
InChIInChI=1S/C10H13NOS/c1-8(12)10-6-9(7-13-10)4-2-3-5-11/h2,4,6-7H,3,5,11H2,1H3
InChIKeyUHRLOFPKUQMUOX-UHFFFAOYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide
CID 170488258
3-(5-acetylthiophen-3-yl)prop-2-enenitrile
CID 169483125
tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate
CID 170487837
methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate
CID 155466575
methyl 4-(4-acetamidobut-1-enyl)thiophene-2-carboxylate
CID 170488502
4-[4-(methylamino)but-1-enyl]thiophene-2-carboxylic acid
CID 170495337
1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone
CID 174501401
1-(4-aminothiophen-2-yl)ethanone
CID 14913273
1-[4-(4-aminobut-1-enyl)-3-chlorophenyl]ethanone
CID 170487216
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
5-(4-aminobut-1-enyl)-2-methylphenol
CID 170486582
(E)-3-[4-(4-aminobut-1-enyl)phenyl]prop-2-enoic acid
CID 170487446

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone (CID 170486563) is 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone is CC(=O)c1cc(C=CCCN)cs1.
What is the InChIKey of 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone?
The InChIKey is UHRLOFPKUQMUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(12)10-6-9(7-13-10)4-2-3-5-11/h2,4,6-7H,3,5,11H2,1H3.
What are the key properties of 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone?
1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone has a molecular weight of 195.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 170486563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).