(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide

C15H20N2OS — CID 104974146

IUPAC(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20N2OS/c18-15(8-7-14-4-2-10-19-14)17(13-5-6-13)11-12-3-1-9-16-12/h2,4,7-8,10,12-13,16H,1,3,5-6,9,11H2/b8-7+
InChIKeyVSINWSPBPGWKAH-BQYQJAHWSA-N
MW276.40 g/mol
LogP2.50
Rot. Bonds5

About (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 104974146) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID104974146
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20N2OS/c18-15(8-7-14-4-2-10-19-14)17(13-5-6-13)11-12-3-1-9-16-12/h2,4,7-8,10,12-13,16H,1,3,5-6,9,11H2/b8-7+
InChIKeyVSINWSPBPGWKAH-BQYQJAHWSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]acetic acid
CID 54945948
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 104974227
(E)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 104971901
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
4-[[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 34180939
N-cyclopropyl-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715466
N-[2-(aminomethyl)cyclopentyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 77125421
N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 106599276
(E)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 51238375
(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide (CID 104974146) is (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)N(CC1CCCN1)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is VSINWSPBPGWKAH-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-15(8-7-14-4-2-10-19-14)17(13-5-6-13)11-12-3-1-9-16-12/h2,4,7-8,10,12-13,16H,1,3,5-6,9,11H2/b8-7+.
What are the key properties of (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 276.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 104974146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).