(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide

C10H11NOS — CID 2413117

IUPAC(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H11NOS/c1-2-7-11-10(12)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2,(H,11,12)/b6-5+
InChIKeyPJNNUBXEFOGTLP-AATRIKPKSA-N
MW193.27 g/mol
LogP2.06
Rot. Bonds4

About (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide

(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 2413117) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
PubChem CID2413117
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H11NOS/c1-2-7-11-10(12)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2,(H,11,12)/b6-5+
InChIKeyPJNNUBXEFOGTLP-AATRIKPKSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-3-(thiophen-2-yl)acrylamide
CID 2083679
N-[(thiophen-2-yl)methyl]acetamide
CID 30617
(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide
CID 2405120
1-[3-(2-Thienyl)acryloyl]piperidine
CID 896101
1-[(2e,4e,6e)-7-(2-Thienyl)-2,4,6-heptatrienoyl]piperidine
CID 11821786
(2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 73349612
(2E,4E)-N-Isobutyl-6-(2-thienyl)hexa-2,4-dienamide
CID 14776997
3-(2-Thienylmethylene)tetrahydro-2,5-pyrazinedione
CID 6517685
3-(2-thienyl)-N-(2-thienylmethyl)acrylamide
CID 845127
(2E)-N-cyclopentyl-3-(2-thienyl)prop-2-enamide
CID 2164351
(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2385929

Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide (CID 2413117) is (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide is C=CCNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PJNNUBXEFOGTLP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-7-11-10(12)6-5-9-4-3-8-13-9/h2-6,8H,1,7H2,(H,11,12)/b6-5+.
What are the key properties of (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 193.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2413117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).