2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide

C16H20N2O2 — CID 76885109

IUPAC2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C16H20N2O2/c1-3-7-12(2)16(20)17-13-8-4-5-9-14(13)18-11-6-10-15(18)19/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,17,20)
InChIKeyDURZTFNZLNKFND-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.11
Rot. Bonds4

About 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide

2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide (PubChem CID 76885109) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
PubChem CID76885109
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C16H20N2O2/c1-3-7-12(2)16(20)17-13-8-4-5-9-14(13)18-11-6-10-15(18)19/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,17,20)
InChIKeyDURZTFNZLNKFND-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 107909776
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61250864
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
2-(2-methoxyethylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112722629
3-(2-ethoxyphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 26955412
methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate
CID 75456145
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide?
The IUPAC name of 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide (CID 76885109) is 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide is CCC=C(C)C(=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide?
The InChIKey is DURZTFNZLNKFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-7-12(2)16(20)17-13-8-4-5-9-14(13)18-11-6-10-15(18)19/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide?
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide has a molecular weight of 272.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide is sourced from PubChem (CID 76885109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).