2-(butylideneamino)-1-thiophen-2-ylethanone

C10H13NOS — CID 58171418

IUPAC2-(butylideneamino)-1-thiophen-2-ylethanone
SMILESCCC/C=N/CC(=O)c1cccs1
InChIInChI=1S/C10H13NOS/c1-2-3-6-11-8-9(12)10-5-4-7-13-10/h4-7H,2-3,8H2,1H3/b11-6+
InChIKeyWBZMHRBGYVSRLW-IZZDOVSWSA-N
MW195.29 g/mol
LogP2.80
Rot. Bonds5

About 2-(butylideneamino)-1-thiophen-2-ylethanone

2-(butylideneamino)-1-thiophen-2-ylethanone (PubChem CID 58171418) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(butylideneamino)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(butylideneamino)-1-thiophen-2-ylethanone
PubChem CID58171418
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(butylideneamino)-1-thiophen-2-ylethanone
SMILESCCC/C=N/CC(=O)c1cccs1
InChIInChI=1S/C10H13NOS/c1-2-3-6-11-8-9(12)10-5-4-7-13-10/h4-7H,2-3,8H2,1H3/b11-6+
InChIKeyWBZMHRBGYVSRLW-IZZDOVSWSA-N
XLogP2.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-butylideneamino]thiophene-2-carboxamide
CID 6114128
1-thiophen-2-ylpropan-1-one
CID 26179
3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
CID 91401022
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869
3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896845
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
CID 5200476
1-thiophen-2-ylpentane-1,4-dione
CID 2741853

Frequently Asked Questions

What is the IUPAC name of 2-(butylideneamino)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(butylideneamino)-1-thiophen-2-ylethanone (CID 58171418) is 2-(butylideneamino)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(butylideneamino)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(butylideneamino)-1-thiophen-2-ylethanone is CCC/C=N/CC(=O)c1cccs1.
What is the InChIKey of 2-(butylideneamino)-1-thiophen-2-ylethanone?
The InChIKey is WBZMHRBGYVSRLW-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-3-6-11-8-9(12)10-5-4-7-13-10/h4-7H,2-3,8H2,1H3/b11-6+.
What are the key properties of 2-(butylideneamino)-1-thiophen-2-ylethanone?
2-(butylideneamino)-1-thiophen-2-ylethanone has a molecular weight of 195.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylideneamino)-1-thiophen-2-ylethanone is sourced from PubChem (CID 58171418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).