1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone

C9H10ClNOS — CID 94257066

IUPAC1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNOS/c1-2-5-11-6-7(12)8-3-4-9(10)13-8/h2-4,11H,1,5-6H2
InChIKeySEOHFUAMDSBYAR-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.36
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone

1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 94257066) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
PubChem CID94257066
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNOS/c1-2-5-11-6-7(12)8-3-4-9(10)13-8/h2-4,11H,1,5-6H2
InChIKeySEOHFUAMDSBYAR-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.36
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-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid
CID 82475711
1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
CID 94261007
1-(3-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 107361494
[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid
CID 89478549
2-anilino-1-(5-chlorothiophen-2-yl)ethanone
CID 82119570
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 25237569
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63320072
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)ethanone
CID 107291064
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
methyl 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanylacetate
CID 43414169

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone (CID 94257066) is 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is SEOHFUAMDSBYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-2-5-11-6-7(12)8-3-4-9(10)13-8/h2-4,11H,1,5-6H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone?
1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 215.70 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 94257066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).