(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one

C10H10OS — CID 19558925

IUPAC(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)C1CC1
InChIInChI=1S/C10H10OS/c11-10(8-3-4-8)6-5-9-2-1-7-12-9/h1-2,5-8H,3-4H2/b6-5+
InChIKeyBDXAMTRLRJRFKJ-AATRIKPKSA-N
MW178.26 g/mol
LogP2.74
Rot. Bonds3

About (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one

(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 19558925) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID19558925
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)C1CC1
InChIInChI=1S/C10H10OS/c11-10(8-3-4-8)6-5-9-2-1-7-12-9/h1-2,5-8H,3-4H2/b6-5+
InChIKeyBDXAMTRLRJRFKJ-AATRIKPKSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
CID 59090948
CID 59090948
1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 51163837
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934
1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007021
(3R,6R)-6-methyl-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94197977
(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide
CID 43602226
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 134029930
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 79029428
1-(3-thiophen-2-ylprop-2-enoyl)azepane-2-carboxylic acid
CID 77047168

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one (CID 19558925) is (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is BDXAMTRLRJRFKJ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H10OS/c11-10(8-3-4-8)6-5-9-2-1-7-12-9/h1-2,5-8H,3-4H2/b6-5+.
What are the key properties of (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 178.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 19558925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).