N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide

C9H11NOS — CID 81408740

IUPACN-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C9H11NOS/c1-3-9(11)10-7(2)8-5-4-6-12-8/h3-7H,1H2,2H3,(H,10,11)/t7-/m1/s1
InChIKeyFPXHYUPQEIHCAE-SSDOTTSWSA-N
MW181.26 g/mol
LogP2.11
Rot. Bonds3

About N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide

N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide (PubChem CID 81408740) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
PubChem CID81408740
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C9H11NOS/c1-3-9(11)10-7(2)8-5-4-6-12-8/h3-7H,1H2,2H3,(H,10,11)/t7-/m1/s1
InChIKeyFPXHYUPQEIHCAE-SSDOTTSWSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
CID 81409323
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 60778927
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide (CID 81408740) is N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide is C=CC(=O)N[C@H](C)c1cccs1.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide?
The InChIKey is FPXHYUPQEIHCAE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11NOS/c1-3-9(11)10-7(2)8-5-4-6-12-8/h3-7H,1H2,2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide?
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide has a molecular weight of 181.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide is sourced from PubChem (CID 81408740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).