1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone

C16H22N2O2 — CID 79285595

IUPAC1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCCC1c1cccc(OC)c1
InChIInChI=1S/C16H22N2O2/c1-3-9-17-12-16(19)18-10-5-8-15(18)13-6-4-7-14(11-13)20-2/h3-4,6-7,11,15,17H,1,5,8-10,12H2,2H3
InChIKeyUHEFLSFAMMIVFV-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds6

About 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone

1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone (PubChem CID 79285595) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone
PubChem CID79285595
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCCC1c1cccc(OC)c1
InChIInChI=1S/C16H22N2O2/c1-3-9-17-12-16(19)18-10-5-8-15(18)13-6-4-7-14(11-13)20-2/h3-4,6-7,11,15,17H,1,5,8-10,12H2,2H3
InChIKeyUHEFLSFAMMIVFV-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51318560
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
1-[(4-fluorophenyl)methyl]-3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea
CID 46699945
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119700018
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 17445025
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 41415745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone (CID 79285595) is 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)N1CCCC1c1cccc(OC)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone?
The InChIKey is UHEFLSFAMMIVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-17-12-16(19)18-10-5-8-15(18)13-6-4-7-14(11-13)20-2/h3-4,6-7,11,15,17H,1,5,8-10,12H2,2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone?
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone has a molecular weight of 274.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 79285595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).