2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide

C16H22N2O2 — CID 51103994

IUPAC2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H22N2O2/c1-3-9-17-16(19)12-18-10-8-14(11-18)13-4-6-15(20-2)7-5-13/h3-7,14H,1,8-12H2,2H3,(H,17,19)
InChIKeyNWOMVTWCTDAJEL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.79
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide

2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 51103994) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
PubChem CID51103994
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H22N2O2/c1-3-9-17-16(19)12-18-10-8-14(11-18)13-4-6-15(20-2)7-5-13/h3-7,14H,1,8-12H2,2H3,(H,17,19)
InChIKeyNWOMVTWCTDAJEL-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.79
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

2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 94797807
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
2-[3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 71923204
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
CID 122132528
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55470324
2-[4-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 34921074
4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
CID 54235113
2-[(2S)-2-phenylmorpholin-4-yl]-N-prop-2-enylacetamide
CID 36732674

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide (CID 51103994) is 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is NWOMVTWCTDAJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-17-16(19)12-18-10-8-14(11-18)13-4-6-15(20-2)7-5-13/h3-7,14H,1,8-12H2,2H3,(H,17,19).
What are the key properties of 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide?
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 274.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 51103994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).