2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone

C15H20N2O2 — CID 166775775

IUPAC2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESC=C(O)NCC(=O)N1CCCC1c1cccc(C)c1
InChIInChI=1S/C15H20N2O2/c1-11-5-3-6-13(9-11)14-7-4-8-17(14)15(19)10-16-12(2)18/h3,5-6,9,14,16,18H,2,4,7-8,10H2,1H3
InChIKeyDJRSOYHKKIQCKT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.28
Rot. Bonds4

About 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone

2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 166775775) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID166775775
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESC=C(O)NCC(=O)N1CCCC1c1cccc(C)c1
InChIInChI=1S/C15H20N2O2/c1-11-5-3-6-13(9-11)14-7-4-8-17(14)15(19)10-16-12(2)18/h3,5-6,9,14,16,18H,2,4,7-8,10H2,1H3
InChIKeyDJRSOYHKKIQCKT-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
3,5-dimethyl-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264652
2-(4-chloropyrazol-1-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 50747286
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
4-amino-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 119328740
N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide
CID 99698305
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
3,3-dimethyl-1-[2-(3-methylphenyl)pyrrolidin-1-yl]pentane-1,2-dione
CID 130438738
4-[[2-(3-methylphenyl)azepane-1-carbonyl]amino]butanoic acid
CID 122023212
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone (CID 166775775) is 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone is C=C(O)NCC(=O)N1CCCC1c1cccc(C)c1.
What is the InChIKey of 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is DJRSOYHKKIQCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-5-3-6-13(9-11)14-7-4-8-17(14)15(19)10-16-12(2)18/h3,5-6,9,14,16,18H,2,4,7-8,10H2,1H3.
What are the key properties of 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 260.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 166775775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).