N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide

C13H17ClN2OS — CID 60717412

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)C1CCCN1
InChIInChI=1S/C13H17ClN2OS/c1-2-8-16(9-10-5-6-12(14)18-10)13(17)11-4-3-7-15-11/h2,5-6,11,15H,1,3-4,7-9H2
InChIKeyOSKUDLBUCVEYRB-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.67
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 60717412) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID60717412
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)C1CCCN1
InChIInChI=1S/C13H17ClN2OS/c1-2-8-16(9-10-5-6-12(14)18-10)13(17)11-4-3-7-15-11/h2,5-6,11,15H,1,3-4,7-9H2
InChIKeyOSKUDLBUCVEYRB-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-N-prop-2-enylpyrrolidine-2-carboxamide
CID 54869478
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119688630
4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672288
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974499
(2S,4S)-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide
CID 120618136
(2S,4S)-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide;hydrochloride
CID 120618135
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
CID 119688622
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N,N-bis(prop-2-enyl)piperidine-2-carboxamide;hydrochloride
CID 53410651
1-butanoyl-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 87023977
(2S)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
CID 61164827

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide (CID 60717412) is N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCCN1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is OSKUDLBUCVEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-2-8-16(9-10-5-6-12(14)18-10)13(17)11-4-3-7-15-11/h2,5-6,11,15H,1,3-4,7-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 284.81 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60717412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).