(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide

C13H18N2OS — CID 104971901

IUPAC(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC[C@H]1CCCN1
InChIInChI=1S/C13H18N2OS/c16-13(6-5-12-4-2-10-17-12)15-9-7-11-3-1-8-14-11/h2,4-6,10-11,14H,1,3,7-9H2,(H,15,16)/b6-5+/t11-/m1/s1
InChIKeyINBYCAIROUDSON-MVIFTORASA-N
MW250.37 g/mol
LogP2.02
Rot. Bonds5

About (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 104971901) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID104971901
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC[C@H]1CCCN1
InChIInChI=1S/C13H18N2OS/c16-13(6-5-12-4-2-10-17-12)15-9-7-11-3-1-8-14-11/h2,4-6,10-11,14H,1,3,7-9H2,(H,15,16)/b6-5+/t11-/m1/s1
InChIKeyINBYCAIROUDSON-MVIFTORASA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104972055
(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 104974146
(E)-3-(4-methoxyphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104955250
(E)-3-(4-nitrophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104971706
(E)-3-thiophen-2-yl-N-[2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 2316494
(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 104645422
N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 79688551
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide
CID 9483071
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide (CID 104971901) is (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC[C@H]1CCCN1.
What is the InChIKey of (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is INBYCAIROUDSON-MVIFTORASA-N. The full InChI is InChI=1S/C13H18N2OS/c16-13(6-5-12-4-2-10-17-12)15-9-7-11-3-1-8-14-11/h2,4-6,10-11,14H,1,3,7-9H2,(H,15,16)/b6-5+/t11-/m1/s1.
What are the key properties of (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 250.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 104971901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).