N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide

C16H20N2O3 — CID 5197549

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCC1OCCc2ccccc21)C(=O)N1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(16(20)18-8-3-4-9-18)17-11-14-13-6-2-1-5-12(13)7-10-21-14/h1-2,5-6,14H,3-4,7-11H2,(H,17,19)
InChIKeySWKJKMZAOYBPIS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.04
Rot. Bonds2

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 5197549) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID5197549
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCC1OCCc2ccccc21)C(=O)N1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(16(20)18-8-3-4-9-18)17-11-14-13-6-2-1-5-12(13)7-10-21-14/h1-2,5-6,14H,3-4,7-11H2,(H,17,19)
InChIKeySWKJKMZAOYBPIS-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine
CID 2836274
N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 164609717
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide
CID 2842448
US10343992, Example 136
CID 134363677
3-Dimethylamino-N-isochroman-1-ylmethyl-propionamide
CID 4051780
N-(isochromanylmethyl)prop-2-enamide
CID 2902265
N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-2-phenylacetamide
CID 42944902
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46449463
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 50961802
N-(3-methoxypropyl)-2-(2-phenylmorpholin-4-yl)acetamide
CID 51080680

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 5197549) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(NCC1OCCc2ccccc21)C(=O)N1CCCC1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is SWKJKMZAOYBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(16(20)18-8-3-4-9-18)17-11-14-13-6-2-1-5-12(13)7-10-21-14/h1-2,5-6,14H,3-4,7-11H2,(H,17,19).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 5197549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).